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CAS 16617-46-2
PharmaCompass
CAS 16617-46-2
Also known as: 16617-46-2, 5-amino-1h-pyrazole-4-carbonitrile, 3-amino-4-pyrazolecarbonitrile, 3-amino-1h-pyrazole-4-carbonitrile, 3-amino-4-cyanopyrazole, 5-amino-4-cyanopyrazole
Molecular Formula
C4H4N4
Molecular Weight
108.104  g/mol
InChI Key
FFNKBQRKZRMYCL-UHFFFAOYSA-N
FDA UNII
OOB953S9X2

1 2D Structure

CAS 16617-46-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-amino-1H-pyrazole-4-carbonitrile
2.1.2 InChI
InChI=1S/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)
2.1.3 InChI Key
FFNKBQRKZRMYCL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=NNC(=C1C#N)N
2.2 Other Identifiers
2.2.1 UNII
OOB953S9X2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 16617-46-2

2. 5-amino-1h-pyrazole-4-carbonitrile

3. 3-amino-4-pyrazolecarbonitrile

4. 3-amino-1h-pyrazole-4-carbonitrile

5. 3-amino-4-cyanopyrazole

6. 5-amino-4-cyanopyrazole

7. 1204396-41-7

8. 1h-pyrazole-4-carbonitrile, 3-amino-

9. 5-aminopyrazole-4-carbonitrile

10. 3-amino-4-cyano-1h-pyrazole

11. 4-cyano-5-aminopyrazole

12. 3-amino-4-cyano Pyrazole

13. Pyrazole-4-carbonitrile, 3-amino-

14. 3-amino-2h-pyrazole-4-carbonitrile

15. 5-amino-4-pyrazolecarbonitrile

16. 3-amino-pyrazole-4-carbonitrile

17. Nsc 44932

18. 3-aminopyrazole-4-nitrile

19. 3-aminopyrazole-4-carbonitril

20. Ffnkbqrkzrmycl-uhfffaoysa-n

21. 1h-pyrazole-3-amino-4-carbonitrile

22. Mfcd00005237

23. Sbb001871

24. Unii-oob953s9x2

25. 3-amino-1h-pyrazol-4-carbonitril

26. Nsc44932

27. Einecs 240-665-6

28. Zlchem 295

29. 3-amino-4cyanopyrazole

30. Pubchem14006

31. Ac1q1gnz

32. Acmc-1c7xn

33. 3-amino-4-cyano-pyrazole

34. Ac1l39mx

35. Ac1q50wq

36. Ksc174q0h

37. 3-amino-4-cyano-1h-pyrazol

38. 3-amino-4-pyrazolcarbonitrile

39. Schembl174458

40. 4-cyano-2h-pyrazol-3-ylamine

41. Oob953s9x2

42. Tpc-i172

43. Tpc-i174

44. 3-amino-4-pyrazole Carbonitrile

45. Dtxsid9066091

46. Ctk0h4803

47. Ctk7d5494

48. Ks-00000iym

49. Rscbb000031

50. Timtec-bb Sbb001871

51. Zlc0114

52. Akos B016028

53. Buttpark 29\04-77

54. Molport-000-841-305

55. Molport-000-920-454

56. Art-chem-bb B016028

57. Bb_sc-3265

58. Art-chem-bb Acb004310

59. Act07896

60. Albb-020135

61. Buttpark 181\09-21

62. Ebd25378

63. Ks-000005mv

64. Str01102

65. Zero/001752

66. Anw-22189

67. Anw-50989

68. Bbl012129

69. Ca-120

70. Ca0076

71. Nsc-44932

72. Rw2326

73. Sc2261

74. Stk347617

75. Zinc18217608

76. 3-a Mino-1h-pyrazole-4-carbonitrile

77. 3-amino-4-pyrazolocarbonitrile

78. 3-aminopyrazole-4-carbonitrile, 97%

79. Akos000260139

80. Akos000305911

81. 1h-pyrazole-4-carbonitrile, 5-amino-

82. Ac-1230

83. Acn-000158

84. Acn-025072

85. As03695

86. Cs-w001964

87. Eh00337

88. Mcule-7948837243

89. Qc-1417

90. Qc-8434

91. Rp00455

92. Rtc-060410

93. Tra0074104

94. Wt82361

95. 103013-86-1

96. Aj-70502

97. Aj-70503

98. Ak-23796

99. Ak-96195

100. An-15122

101. Bc201022

102. Bp-12602

103. Br-23796

104. Cj-15873

105. En003142

106. He000189

107. He251879

108. Kb-29376

109. Sc-16778

110. St078274

111. Sy001600

112. Ab1001232

113. Db-022228

114. Kb-244450

115. Tc-060410

116. Tc-139734

117. Tl8001275

118. 1h-pyrazole-4-carbonitrile,3-amino-

119. Am20080471

120. Ft-0614906

121. Ft-0658250

122. St24029314

123. St24041728

124. Z3971

125. En300-13228

126. 17a462

127. 1h-pyrazole-4-carbonitrile, 3-amino- (9ci)

128. A-3402

129. M-4297

130. 617a462

131. I05-0131

132. I14-7374

133. Q-100199

134. 5-aminopyrazole-4-carbonitrile; 5-amino-4-cyanopyrazole; 3-aminopyarazole-4-carbonitrile

135. 8-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

136. 108443-29-4

137. 134022-72-3

138. 140706-29-2

139. 145370-88-3

140. 147770-51-2

141. 154180-57-1

142. 159224-07-4

143. 250712-20-0

144. 40234-39-7

145. 50908-45-7

146. 52630-99-6

147. 54381-61-2

148. 706823-00-9

149. 72242-75-2

150. 73075-19-1

151. 749216-52-2

152. 80509-48-4

153. 81375-80-6

154. 821023-66-9

155. 842170-55-2

156. 862172-63-2

157. 875554-86-2

158. 877833-74-4

159. 882231-01-8

160. 89403-99-6

161. 924366-17-6

162. 948292-33-9

163. 95470-64-7

164. 99196-22-2

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 108.104 g/mol
Molecular Formula C4H4N4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass108.044 g/mol
Monoisotopic Mass108.044 g/mol
Topological Polar Surface Area78.5 A^2
Heavy Atom Count8
Formal Charge0
Complexity123
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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