3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid

C13H14N2O2 — CID 975396

IUPAC3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCC(C)c1ccc(-c2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C13H14N2O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(13(16)17)15-14-11/h3-8H,1-2H3,(H,14,15)(H,16,17)
InChIKeyPCZGIQISGVTTCE-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.90
Rot. Bonds3

About 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid

3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 975396) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID975396
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCC(C)c1ccc(-c2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C13H14N2O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(13(16)17)15-14-11/h3-8H,1-2H3,(H,14,15)(H,16,17)
InChIKeyPCZGIQISGVTTCE-UHFFFAOYSA-N
XLogP2.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid (CID 975396) is 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid is CC(C)c1ccc(-c2cc(C(=O)O)[nH]n2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is PCZGIQISGVTTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(13(16)17)15-14-11/h3-8H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 975396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).