1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide

C23H26N4O — CID 120574310

IUPAC1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide
SMILESCC1NCCCC1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H26N4O/c1-17-21(13-8-14-24-17)25-23(28)20-16-27(15-18-9-4-2-5-10-18)26-22(20)19-11-6-3-7-12-19/h2-7,9-12,16-17,21,24H,8,13-15H2,1H3,(H,25,28)
InChIKeyCVKKDIHVCVNZIB-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.47
Rot. Bonds5

About 1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide

1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide (PubChem CID 120574310) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide
PubChem CID120574310
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide
SMILESCC1NCCCC1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H26N4O/c1-17-21(13-8-14-24-17)25-23(28)20-16-27(15-18-9-4-2-5-10-18)26-22(20)19-11-6-3-7-12-19/h2-7,9-12,16-17,21,24H,8,13-15H2,1H3,(H,25,28)
InChIKeyCVKKDIHVCVNZIB-UHFFFAOYSA-N
XLogP3.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
3-(4-methoxyphenyl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide
CID 120577382
1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 120577133
1-benzyl-3-(4-methoxyphenyl)-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424422
1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9461304
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
1-benzyl-3-(2-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 9273186
1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119449675
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
1-benzyl-3-(4-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide
CID 55933489
(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576322
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide (CID 120574310) is 1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide is CC1NCCCC1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is CVKKDIHVCVNZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-21(13-8-14-24-17)25-23(28)20-16-27(15-18-9-4-2-5-10-18)26-22(20)19-11-6-3-7-12-19/h2-7,9-12,16-17,21,24H,8,13-15H2,1H3,(H,25,28).
What are the key properties of 1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide?
1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 120574310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).