1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide

C17H14ClN3O — CID 164610011

IUPAC1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN3O/c1-19-17(22)15-11-16(12-5-3-2-4-6-12)21(20-15)14-9-7-13(18)8-10-14/h2-11H,1H3,(H,19,22)
InChIKeyGOVKLTWMHQHXOQ-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.55
Rot. Bonds3

About 1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide

1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide (PubChem CID 164610011) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
PubChem CID164610011
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14ClN3O/c1-19-17(22)15-11-16(12-5-3-2-4-6-12)21(20-15)14-9-7-13(18)8-10-14/h2-11H,1H3,(H,19,22)
InChIKeyGOVKLTWMHQHXOQ-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide
CID 1477268
1-(4-chlorophenyl)-5-ethyl-N-methylpyrazole-3-carboxamide
CID 138706078
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid
CID 54484375
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 30391460
N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315560
2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 10003065
[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol
CID 11471651
[[5-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-3-carbonyl]amino] N-benzylcarbamate
CID 176908528
1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide
CID 157019778

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide (CID 164610011) is 1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide is CNC(=O)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide?
The InChIKey is GOVKLTWMHQHXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-19-17(22)15-11-16(12-5-3-2-4-6-12)21(20-15)14-9-7-13(18)8-10-14/h2-11H,1H3,(H,19,22).
What are the key properties of 1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 164610011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).