N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide

C16H12ClN3O — CID 67287365

IUPACN-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(-c2cccc(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C16H12ClN3O/c17-13-7-4-8-15(9-13)20-11-14(10-18-20)19-16(21)12-5-2-1-3-6-12/h1-11H,(H,19,21)
InChIKeyLIGRILHRXMSHIL-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.78
Rot. Bonds3

About N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide

N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide (PubChem CID 67287365) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
PubChem CID67287365
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC NameN-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(-c2cccc(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C16H12ClN3O/c17-13-7-4-8-15(9-13)20-11-14(10-18-20)19-16(21)12-5-2-1-3-6-12/h1-11H,(H,19,21)
InChIKeyLIGRILHRXMSHIL-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 86848828
N-(6-bromo-3-pyridinyl)-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 99635482
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723
1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
CID 60529641
1-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 112845235
N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259
N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide
CID 87057580
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220
N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide
CID 71884776
3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 70702009

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide?
The IUPAC name of N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide (CID 67287365) is N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(-c2cccc(Cl)c2)c1)c1ccccc1.
What is the InChIKey of N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide?
The InChIKey is LIGRILHRXMSHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-7-4-8-15(9-13)20-11-14(10-18-20)19-16(21)12-5-2-1-3-6-12/h1-11H,(H,19,21).
What are the key properties of N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide?
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide has a molecular weight of 297.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 67287365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).