3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide

C22H22ClN3O — CID 4521775

IUPAC3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccc2Cl)nn1-c1ccccc1
InChIInChI=1S/C22H22ClN3O/c23-19-14-8-7-13-18(19)20-15-21(22(27)24-16-9-3-1-4-10-16)26(25-20)17-11-5-2-6-12-17/h2,5-8,11-16H,1,3-4,9-10H2,(H,24,27)
InChIKeyRXLTYUPUTGSZDX-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.26
Rot. Bonds4

About 3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide

3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide (PubChem CID 4521775) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
PubChem CID4521775
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccc2Cl)nn1-c1ccccc1
InChIInChI=1S/C22H22ClN3O/c23-19-14-8-7-13-18(19)20-15-21(22(27)24-16-9-3-1-4-10-16)26(25-20)17-11-5-2-6-12-17/h2,5-8,11-16H,1,3-4,9-10H2,(H,24,27)
InChIKeyRXLTYUPUTGSZDX-UHFFFAOYSA-N
XLogP5.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
CID 42759394
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891
3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 4005097
N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5036469
N-(4-hydroxycyclohexyl)-1,3-diphenylpyrazole-5-carboxamide
CID 9324133
N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 812037
6-(2-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide
CID 58210870
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3953620
N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514813
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid
CID 3356336
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide (CID 4521775) is 3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide is O=C(NC1CCCCC1)c1cc(-c2ccccc2Cl)nn1-c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is RXLTYUPUTGSZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-19-14-8-7-13-18(19)20-15-21(22(27)24-16-9-3-1-4-10-16)26(25-20)17-11-5-2-6-12-17/h2,5-8,11-16H,1,3-4,9-10H2,(H,24,27).
What are the key properties of 3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 4521775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).