3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid

C15H16N2O2 — CID 83731165

IUPAC3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid
SMILESCc1ccc(-n2nc(C3CC3)cc2C(=O)O)c(C)c1
InChIInChI=1S/C15H16N2O2/c1-9-3-6-13(10(2)7-9)17-14(15(18)19)8-12(16-17)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,18,19)
InChIKeyKCZQPAXUCBIHEH-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.06
Rot. Bonds3

About 3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid

3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid (PubChem CID 83731165) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid
PubChem CID83731165
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid
SMILESCc1ccc(-n2nc(C3CC3)cc2C(=O)O)c(C)c1
InChIInChI=1S/C15H16N2O2/c1-9-3-6-13(10(2)7-9)17-14(15(18)19)8-12(16-17)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,18,19)
InChIKeyKCZQPAXUCBIHEH-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid (CID 83731165) is 3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid is Cc1ccc(-n2nc(C3CC3)cc2C(=O)O)c(C)c1.
What is the InChIKey of 3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is KCZQPAXUCBIHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-3-6-13(10(2)7-9)17-14(15(18)19)8-12(16-17)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,18,19).
What are the key properties of 3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid?
3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 83731165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).