1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide

C22H24N4O — CID 71685669

IUPAC1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c27-22(21-13-16-26(24-21)20-7-3-1-4-8-20)23-17-18-9-11-19(12-10-18)25-14-5-2-6-15-25/h1,3-4,7-13,16H,2,5-6,14-15,17H2,(H,23,27)
InChIKeyYJIBJTDGHVCAGI-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.79
Rot. Bonds5

About 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide

1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 71685669) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID71685669
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c27-22(21-13-16-26(24-21)20-7-3-1-4-8-20)23-17-18-9-11-19(12-10-18)25-14-5-2-6-15-25/h1,3-4,7-13,16H,2,5-6,14-15,17H2,(H,23,27)
InChIKeyYJIBJTDGHVCAGI-UHFFFAOYSA-N
XLogP3.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51124890
N-[(4-piperidin-1-ylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051276
N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651159
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
1-(4-ethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]triazole-4-carboxamide
CID 71802853
methyl 1-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylate
CID 168512721
N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide
CID 52692836
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 80712093
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide (CID 71685669) is 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide is O=C(NCc1ccc(N2CCCCC2)cc1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is YJIBJTDGHVCAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(21-13-16-26(24-21)20-7-3-1-4-8-20)23-17-18-9-11-19(12-10-18)25-14-5-2-6-15-25/h1,3-4,7-13,16H,2,5-6,14-15,17H2,(H,23,27).
What are the key properties of 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide?
1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71685669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).