5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid

C17H20N2O2 — CID 82361438

IUPAC5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1cccc(-n2ncc(C(=O)O)c2C2CCCCC2)c1
InChIInChI=1S/C17H20N2O2/c1-12-6-5-9-14(10-12)19-16(13-7-3-2-4-8-13)15(11-18-19)17(20)21/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,20,21)
InChIKeySAPAYEBULOTSHT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.93
Rot. Bonds3

About 5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid

5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid (PubChem CID 82361438) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
PubChem CID82361438
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1cccc(-n2ncc(C(=O)O)c2C2CCCCC2)c1
InChIInChI=1S/C17H20N2O2/c1-12-6-5-9-14(10-12)19-16(13-7-3-2-4-8-13)15(11-18-19)17(20)21/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,20,21)
InChIKeySAPAYEBULOTSHT-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

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Related Compounds

5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 82361439
1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid
CID 43542935
1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053191
5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid
CID 126753983
5-cyclopropyl-1-[3-[(1R)-3-(dimethylcarbamoyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
CID 139318399
4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 117232941
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059794
1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine
CID 117210663
1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354409
5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754536

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid (CID 82361438) is 5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid is Cc1cccc(-n2ncc(C(=O)O)c2C2CCCCC2)c1.
What is the InChIKey of 5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is SAPAYEBULOTSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-6-5-9-14(10-12)19-16(13-7-3-2-4-8-13)15(11-18-19)17(20)21/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,20,21).
What are the key properties of 5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid?
5-cyclohexyl-1-(3-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-(3-methylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).