3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid

C11H10N2O3 — CID 117310670

IUPAC3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)[nH]n2)cc1O
InChIInChI=1S/C11H10N2O3/c1-6-2-3-7(4-10(6)14)8-5-9(11(15)16)13-12-8/h2-5,14H,1H3,(H,12,13)(H,15,16)
InChIKeyKQUXYLZRPCDOOJ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.79
Rot. Bonds2

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

3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117310670) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117310670
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)[nH]n2)cc1O
InChIInChI=1S/C11H10N2O3/c1-6-2-3-7(4-10(6)14)8-5-9(11(15)16)13-12-8/h2-5,14H,1H3,(H,12,13)(H,15,16)
InChIKeyKQUXYLZRPCDOOJ-UHFFFAOYSA-N
XLogP1.79
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(3-hydroxy-4-methylphenyl)-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-4,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336053
3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117446021
3-(4-methyl-3-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117449866
3-[3-(difluoromethyl)-4-methylphenyl]-1H-pyrazole-5-carboxylic acid
CID 117383202
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 82387523
3-(2-methyl-1-benzofuran-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117357206
3-(2H-benzotriazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117329834
3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid;ethane
CID 143798874
3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137013113
3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592596
3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 137007277

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117310670) is 3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)[nH]n2)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is KQUXYLZRPCDOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-2-3-7(4-10(6)14)8-5-9(11(15)16)13-12-8/h2-5,14H,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117310670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).