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2D Structure
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

1 2D Structure

2D Structure

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