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

C17H20N2O2 — CID 61272403

IUPAC1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(C3CCCCC3)cc2C(=O)O)cc1
InChIInChI=1S/C17H20N2O2/c1-12-7-9-13(10-8-12)16-15(17(20)21)11-19(18-16)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,20,21)
InChIKeyIYFRLAZJGKAKIX-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.06
Rot. Bonds3

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

1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid (PubChem CID 61272403) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid
PubChem CID61272403
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(C3CCCCC3)cc2C(=O)O)cc1
InChIInChI=1S/C17H20N2O2/c1-12-7-9-13(10-8-12)16-15(17(20)21)11-19(18-16)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,20,21)
InChIKeyIYFRLAZJGKAKIX-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid (CID 61272403) is 1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid is Cc1ccc(-c2nn(C3CCCCC3)cc2C(=O)O)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is IYFRLAZJGKAKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-9-13(10-8-12)16-15(17(20)21)11-19(18-16)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,20,21).
What are the key properties of 1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid?
1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 61272403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).