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Also known as: 401566-79-8, 1-(3-methyl-1-phenyl-5-pyrazolyl)piperazine, 1-(5-methyl-2-phenylpyrazol-3-yl)piperazine, Mfcd22398471, Amy276, Schembl2706921
Molecular Formula
C14H18N4
Molecular Weight
242.32  g/mol
InChI Key
FBCUUXMVVOANMV-UHFFFAOYSA-N

CAS 401566-79-8
1 2D Structure

CAS 401566-79-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(5-methyl-2-phenylpyrazol-3-yl)piperazine
2.1.2 InChI
InChI=1S/C14H18N4/c1-12-11-14(17-9-7-15-8-10-17)18(16-12)13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3
2.1.3 InChI Key
FBCUUXMVVOANMV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NN(C(=C1)N2CCNCC2)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 401566-79-8

2. 1-(3-methyl-1-phenyl-5-pyrazolyl)piperazine

3. 1-(5-methyl-2-phenylpyrazol-3-yl)piperazine

4. Mfcd22398471

5. Amy276

6. Schembl2706921

7. Dtxsid50621769

8. Bcp12046

9. Cs-m1873

10. Zinc83253937

11. Akos022172248

12. Ds-5839

13. Ac-31744

14. Sy045781

15. Ft-0777826

16. H11737

17. 1-(3-methyl-1-phenyl-1h-pyrazole-5-yl) Piprazine

18. 1-(3-methyl-1-phenyl-1h-pyrazole-5-yl)piperazine

19. Piperazine,1-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 242.32 g/mol
Molecular Formula C14H18N4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass242.153146591 g/mol
Monoisotopic Mass242.153146591 g/mol
Topological Polar Surface Area33.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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