N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide

C21H21ClN4O — CID 52692836

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C21H21ClN4O/c22-18-15-16(9-10-20(18)25-12-5-2-6-13-25)23-21(27)19-11-14-26(24-19)17-7-3-1-4-8-17/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,23,27)
InChIKeyHUKDFIMRNMZFNH-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.77
Rot. Bonds4

About N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide

N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 52692836) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide
PubChem CID52692836
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C21H21ClN4O/c22-18-15-16(9-10-20(18)25-12-5-2-6-13-25)23-21(27)19-11-14-26(24-19)17-7-3-1-4-8-17/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,23,27)
InChIKeyHUKDFIMRNMZFNH-UHFFFAOYSA-N
XLogP4.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid
CID 75417973
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
CID 39932948
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
CID 1220386
1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
CID 46437483
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide
CID 29244386
1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 71685669
1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide
CID 60563144
1-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 38764020
N-(1-phenylpyrazol-3-yl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55547682
N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 39908296
N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 47028819
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide (CID 52692836) is N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is HUKDFIMRNMZFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-18-15-16(9-10-20(18)25-12-5-2-6-13-25)23-21(27)19-11-14-26(24-19)17-7-3-1-4-8-17/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,23,27).
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide?
N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 52692836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).