3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid

C11H10N2O3 — CID 137013113

IUPAC3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cc(O)ccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H10N2O3/c1-6-4-7(14)2-3-8(6)9-5-10(11(15)16)13-12-9/h2-5,14H,1H3,(H,12,13)(H,15,16)
InChIKeyCCFZBNPIUWGVLY-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.79
Rot. Bonds2

About 3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid

3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 137013113) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID137013113
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cc(O)ccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H10N2O3/c1-6-4-7(14)2-3-8(6)9-5-10(11(15)16)13-12-9/h2-5,14H,1H3,(H,12,13)(H,15,16)
InChIKeyCCFZBNPIUWGVLY-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

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Related Compounds

3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 137017195
3-(2-chloro-3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117384630
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117404383
3-(4-tert-butyl-5-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117438355
3-(5-carboxy-2,3-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117404379
3-(3-bromo-2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495825
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135894587
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670
3-(3-chloro-2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 136991923
3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 83395844
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid (CID 137013113) is 3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid is Cc1cc(O)ccc1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is CCFZBNPIUWGVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-4-7(14)2-3-8(6)9-5-10(11(15)16)13-12-9/h2-5,14H,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-hydroxy-2-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-(4-hydroxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 137013113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).