N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide

C23H26N4O — CID 119276225

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CCCCN1
InChIInChI=1S/C23H26N4O/c28-23(21-13-7-8-14-24-21)25-15-20-17-27(16-18-9-3-1-4-10-18)26-22(20)19-11-5-2-6-12-19/h1-6,9-12,17,21,24H,7-8,13-16H2,(H,25,28)
InChIKeyGGVSUSNRQZXRBW-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.36
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide (PubChem CID 119276225) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
PubChem CID119276225
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CCCCN1
InChIInChI=1S/C23H26N4O/c28-23(21-13-7-8-14-24-21)25-15-20-17-27(16-18-9-3-1-4-10-18)26-22(20)19-11-5-2-6-12-19/h1-6,9-12,17,21,24H,7-8,13-16H2,(H,25,28)
InChIKeyGGVSUSNRQZXRBW-UHFFFAOYSA-N
XLogP3.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-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-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 119276229
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119698865
(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619392
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carboxamide
CID 85453509
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 119698864
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 24610629
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119846737
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide (CID 119276225) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide is O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CCCCN1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
The InChIKey is GGVSUSNRQZXRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(21-13-7-8-14-24-21)25-15-20-17-27(16-18-9-3-1-4-10-18)26-22(20)19-11-5-2-6-12-19/h1-6,9-12,17,21,24H,7-8,13-16H2,(H,25,28).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119276225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).