3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C22H31N5O — CID 92637469

IUPAC3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C22H31N5O/c1-26-16-20(22(28)24-15-18-6-4-5-11-23-18)21(25-26)14-17-9-12-27(13-10-17)19-7-2-3-8-19/h4-6,11,16-17,19H,2-3,7-10,12-15H2,1H3,(H,24,28)
InChIKeyKTBZRFFDHXZPAS-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.94
Rot. Bonds6

About 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 92637469) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID92637469
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C22H31N5O/c1-26-16-20(22(28)24-15-18-6-4-5-11-23-18)21(25-26)14-17-9-12-27(13-10-17)19-7-2-3-8-19/h4-6,11,16-17,19H,2-3,7-10,12-15H2,1H3,(H,24,28)
InChIKeyKTBZRFFDHXZPAS-UHFFFAOYSA-N
XLogP2.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92638073
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637488
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637598
4-(1-cyclobutylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42395577
3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 154582530
1-cyclopentyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 35762704
2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide
CID 20851915
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636739
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636604
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
(2S)-N-[[4-[(4-cyclohexyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]-3-methyl-2-(pyridin-2-ylmethylamino)butanamide
CID 154969347

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 92637469) is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C3CCCC3)CC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is KTBZRFFDHXZPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-26-16-20(22(28)24-15-18-6-4-5-11-23-18)21(25-26)14-17-9-12-27(13-10-17)19-7-2-3-8-19/h4-6,11,16-17,19H,2-3,7-10,12-15H2,1H3,(H,24,28).
What are the key properties of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 92637469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).