1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide

C21H22N4O — CID 69111813

IUPAC1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O/c26-21(23-24-14-8-3-9-15-24)19-16-20(17-10-4-1-5-11-17)25(22-19)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,23,26)
InChIKeyYONVTGCMDBZKNU-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.67
Rot. Bonds4

About 1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide

1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 69111813) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID69111813
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O/c26-21(23-24-14-8-3-9-15-24)19-16-20(17-10-4-1-5-11-17)25(22-19)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,23,26)
InChIKeyYONVTGCMDBZKNU-UHFFFAOYSA-N
XLogP3.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rimonabant
CID 104850
N-(piperidin-1-yl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 2125
Rimonabant Hydrochloride
CID 104849
1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
N-(4-((3-(prop-2-enoylamino)benzoyl)amino)phenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 131704492
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-pentyl-phenyl)-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
CID 10141695
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 7695693
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide
CID 23652124
5-(4-Chlorophenyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide (12k)
CID 76321035
[3H]Rimonabant
CID 54585418

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 69111813) is 1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide is O=C(NN1CCCCC1)c1cc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is YONVTGCMDBZKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(23-24-14-8-3-9-15-24)19-16-20(17-10-4-1-5-11-17)25(22-19)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,23,26).
What are the key properties of 1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 69111813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).