5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid

C17H20N2O2 — CID 82361439

IUPAC5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1ccccc1-n1ncc(C(=O)O)c1C1CCCCC1
InChIInChI=1S/C17H20N2O2/c1-12-7-5-6-10-15(12)19-16(13-8-3-2-4-9-13)14(11-18-19)17(20)21/h5-7,10-11,13H,2-4,8-9H2,1H3,(H,20,21)
InChIKeyFKWBIKXNSXPATC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.93
Rot. Bonds3

About 5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid

5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid (PubChem CID 82361439) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
PubChem CID82361439
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1ccccc1-n1ncc(C(=O)O)c1C1CCCCC1
InChIInChI=1S/C17H20N2O2/c1-12-7-5-6-10-15(12)19-16(13-8-3-2-4-9-13)14(11-18-19)17(20)21/h5-7,10-11,13H,2-4,8-9H2,1H3,(H,20,21)
InChIKeyFKWBIKXNSXPATC-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 36978780
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 36993627
1-(2-methylphenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361459
5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 82361438
5-cyclopropyl-1-(2-hydroxyphenyl)pyrazole-4-carboxylic acid
CID 82361375
N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 46596720
N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 96517899
N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 96517898
N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37175638
5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 36997228
5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 37352740
5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37022037

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid (CID 82361439) is 5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid is Cc1ccccc1-n1ncc(C(=O)O)c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is FKWBIKXNSXPATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-5-6-10-15(12)19-16(13-8-3-2-4-9-13)14(11-18-19)17(20)21/h5-7,10-11,13H,2-4,8-9H2,1H3,(H,20,21).
What are the key properties of 5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid?
5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).