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

C13H14N2O3 — CID 137011554

IUPAC3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCC(C)c1ccc(O)c(-c2cc(C(=O)O)[nH]n2)c1
InChIInChI=1S/C13H14N2O3/c1-7(2)8-3-4-12(16)9(5-8)10-6-11(13(17)18)15-14-10/h3-7,16H,1-2H3,(H,14,15)(H,17,18)
InChIKeyUCPTVGHMQBJJKB-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.60
Rot. Bonds3

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

3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 137011554) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID137011554
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCC(C)c1ccc(O)c(-c2cc(C(=O)O)[nH]n2)c1
InChIInChI=1S/C13H14N2O3/c1-7(2)8-3-4-12(16)9(5-8)10-6-11(13(17)18)15-14-10/h3-7,16H,1-2H3,(H,14,15)(H,17,18)
InChIKeyUCPTVGHMQBJJKB-UHFFFAOYSA-N
XLogP2.60
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(2-hydroxy-5-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

Related Compounds

3-(3-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117367674
3-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1H-pyrazole-5-carboxylic acid
CID 136932425
3-(6-hydroxy-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 136997983
3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137013113
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670
3-(2-chloro-3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117384630
3-(5-fluoro-2-hydroxy-4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 136966393
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
3-(7-chloro-3-hydroxynaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid
CID 136968351
3-[3-[(dimethylamino)methyl]-4-hydroxy-2-methylphenyl]-1H-pyrazole-5-carboxylic acid
CID 136931921
3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111272
3-(5-fluoro-2-methylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117383381

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid (CID 137011554) is 3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid is CC(C)c1ccc(O)c(-c2cc(C(=O)O)[nH]n2)c1.
What is the InChIKey of 3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is UCPTVGHMQBJJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7(2)8-3-4-12(16)9(5-8)10-6-11(13(17)18)15-14-10/h3-7,16H,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 137011554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).