Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 4-[1-[(2s)-2-aminopropyl]-1h-pyrazol-3-yl]-2-chlorobenzonitrile, (s)-4-[1-(2-aminopropyl)-1h-pyrazol-3-yl]-2-chlorobenzonitrile, 4-(1-((2s)-2-aminopropyl)-1h-pyrazol-3-yl)-2-chlorobenzonitrile, 941-762-2, 1297537-41-7, Benzonitrile, 4-[1-[(2s)-2-aminopropyl]-1h-pyrazol-3-yl]-2-chloro-
Molecular Formula
C13H13ClN4
Molecular Weight
260.72  g/mol
InChI Key
MQWGPHFTKXGETE-VIFPVBQESA-N
FDA UNII
HVW497QYR7

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[1-[(2S)-2-aminopropyl]pyrazol-3-yl]-2-chlorobenzonitrile
2.1.2 InChI
InChI=1S/C13H13ClN4/c1-9(16)8-18-5-4-13(17-18)10-2-3-11(7-15)12(14)6-10/h2-6,9H,8,16H2,1H3/t9-/m0/s1
2.1.3 InChI Key
MQWGPHFTKXGETE-VIFPVBQESA-N
2.2 Other Identifiers
2.2.1 UNII
HVW497QYR7
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4-[1-[(2s)-2-aminopropyl]-1h-pyrazol-3-yl]-2-chlorobenzonitrile

2. (s)-4-[1-(2-aminopropyl)-1h-pyrazol-3-yl]-2-chlorobenzonitrile

3. 4-(1-((2s)-2-aminopropyl)-1h-pyrazol-3-yl)-2-chlorobenzonitrile

4. 941-762-2

5. 1297537-41-7

6. Benzonitrile, 4-[1-[(2s)-2-aminopropyl]-1h-pyrazol-3-yl]-2-chloro-

7. 4-[1-[(2s)-2-aminopropyl]pyrazol-3-yl]-2-chlorobenzonitrile

8. 4-{1-[(2s)-2-aminopropyl]pyrazol-3-yl}-2-chlorobenzonitrile

9. Mfcd30802585

10. Hvw497qyr7

11. Schembl1812527

12. Mqwgphftkxgete-vifpvbqesa-n

13. Dtxsid101175168

14. Akos040767426

15. Bs-45576

16. E84564

17. A1-22634

18. (s)-4-(1-(2-amino-propyl)-1h-pyrazol-3-yl)-2-chlorobenzonitrile

19. (s)-4-(1-(2-aminopropyl)-1h-pyrazol-3-yl)-2-chloro Benzonitrile

20. (s)-4-(1-(2-aminopropyl)-1h-pyrazol-3-yl)-2-chloro-benzonitrile

21. (s)-4-(1-(2-aminopropyl)-1h-pyrazol-3-yl)-2-chlorobenzo-nitrile

22. 4-[1-(2-amino-propyl)-1h-pyrazol-3-yl]-2-chloro-benzonitrile

23. 4-[1-[(2s)-2-aminopropyl]pyrazol-3-yl]-2-chloro-benzonitrile

24. 4-[1-(2-aminopropyl)-1h-pyrazol-3-yl]-2-chlorobenzonitrile, (s)-

2.4 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 260.72 g/mol
Molecular Formula C13H13ClN4
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area67.6
Heavy Atom Count18
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1