5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide

C24H28N4O — CID 4016241

IUPAC5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCCCC2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H28N4O/c1-19-22(24(29)25-15-18-27-16-9-4-10-17-27)23(20-11-5-2-6-12-20)26-28(19)21-13-7-3-8-14-21/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H,25,29)
InChIKeyKOXDDORACOTGBI-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.06
Rot. Bonds6

About 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide

5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 4016241) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID4016241
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC Name5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCCCC2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H28N4O/c1-19-22(24(29)25-15-18-27-16-9-4-10-17-27)23(20-11-5-2-6-12-20)26-28(19)21-13-7-3-8-14-21/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H,25,29)
InChIKeyKOXDDORACOTGBI-UHFFFAOYSA-N
XLogP4.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19473385
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 143069575
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46410529
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473366
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide
CID 33076349

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide (CID 4016241) is 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCN2CCCCC2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is KOXDDORACOTGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-19-22(24(29)25-15-18-27-16-9-4-10-17-27)23(20-11-5-2-6-12-20)26-28(19)21-13-7-3-8-14-21/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H,25,29).
What are the key properties of 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide?
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 4016241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).