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CAS 401566-79-8

Chemistry, 7 End Use API, 17 Related Intermediates

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2 Intermediates

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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

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 Formula	C₁₄H₁₈N₄
Molecular Weight	242.32 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	242.153146591 g/mol
Monoisotopic Mass	242.153146591 g/mol
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	259
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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((2S,4S)-4-(4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)pipera...

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CAS Number

760937-92-6

End Use API

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