CAS 1297537-33-7

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Also known as: 5-acetyl-n-((1s)-2-(3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl)-1-methylethyl)-1h-pyrazole-3-carboxamide, 5-acetyl-n-[(1s)-2-[3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl]-1-methylethyl]-1h-pyrazole-3-carboxamide, 941-760-1, Orm-15341, 1297537-33-7, Ketodarolutamide

Molecular Formula

C₁₉H₁₇ClN₆O₂

Molecular Weight

396.8 g/mol

InChI Key

GMBPVBVTPBWIKC-NSHDSACASA-N

FDA UNII

9EPS75QMTL

Ketodarolutamide, a nonsteroidal antiandrogen (NSAA), is the major active metabolite of [darolutamide].

1 2D Structure

CAS 1297537-33-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-acetyl-N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide

2.1.2 InChI

InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1

2.1.3 InChI Key

GMBPVBVTPBWIKC-NSHDSACASA-N

2.2 Other Identifiers

2.2.1 UNII

9EPS75QMTL

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5-acetyl-n-((1s)-2-(3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl)-1-methylethyl)-1h-pyrazole-3-carboxamide

2. 5-acetyl-n-[(1s)-2-[3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl]-1-methylethyl]-1h-pyrazole-3-carboxamide

3. 941-760-1

4. Orm-15341

5. 1297537-33-7

6. Ketodarolutamide

7. 9eps75qmtl

8. 3-acetyl-n-[(2s)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1h-pyrazole-5-carboxamide

9. 1h-pyrazole-3-carboxamide, 5-acetyl-n-((1s)-2-(3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl)-1-methylethyl)-

10. (s)-3-acetyl-n-(1-(3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl)propan-2-yl)-1h-pyrazole-5-carboxamide

11. Gmbpvbvtpbwikc-nshdsacasa-n

12. 5-acetyl-n-[(2s)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2h-pyrazole-3-carboxamide

13. Cs-5191

14. Keto-darolutamide

15. Unii-9eps75qmtl

16. Schembl1815556

17. Chembl4524159

18. Orm-15341(ketodarolutamide)?

19. Dtxsid101111196

20. Ex-a3189

21. Xbc53733

22. Zb1629

23. Akos030526386

24. Ncgc00485475-01

25. Ac-36362

26. Da-66367

27. Hy-19337

28. Ms-26697

29. F85313

30. Q27272459

31. (s)-3-acetyl-n-(1-(3-(3-chloro-4-cyano-phenyl)-1h-pyrazol-1-yl)propan-2-yl)-1h-pyrazole-5-carboxamide

2.4 Create Date

2011-06-06

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₇ClN₆O₂
Molecular Weight	396.8 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	116
Heavy Atom Count	28
Formal Charge	0
Complexity	637
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1