3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide

C23H24ClN3O — CID 5038891

IUPAC3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H24ClN3O/c1-16-11-13-18(14-12-16)27-22(23(28)25-17-7-3-2-4-8-17)15-21(26-27)19-9-5-6-10-20(19)24/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,25,28)
InChIKeyCLPPPAMDRQOWBJ-UHFFFAOYSA-N
MW393.92 g/mol
LogP5.56
Rot. Bonds4

About 3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide (PubChem CID 5038891) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
PubChem CID5038891
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H24ClN3O/c1-16-11-13-18(14-12-16)27-22(23(28)25-17-7-3-2-4-8-17)15-21(26-27)19-9-5-6-10-20(19)24/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,25,28)
InChIKeyCLPPPAMDRQOWBJ-UHFFFAOYSA-N
XLogP5.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
CID 4521775
N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5036469
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
CID 42759394
3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 4005097
N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514813
N-(1-benzylpiperidin-4-yl)-1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4240293
1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759343
1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 4025891
N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 812037
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide
CID 7347444
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide
CID 42759384
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 4587400

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide (CID 5038891) is 3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is CLPPPAMDRQOWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-16-11-13-18(14-12-16)27-22(23(28)25-17-7-3-2-4-8-17)15-21(26-27)19-9-5-6-10-20(19)24/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,25,28).
What are the key properties of 3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 5.56, 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-(4-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 5038891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).