3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid

C14H16N2O3 — CID 115111275

IUPAC3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCC(C)(O)Cc1ccccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C14H16N2O3/c1-14(2,19)8-9-5-3-4-6-10(9)11-7-12(13(17)18)16-15-11/h3-7,19H,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPIYCOOBULJQGLU-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.09
Rot. Bonds4

About 3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid

3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 115111275) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID115111275
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCC(C)(O)Cc1ccccc1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C14H16N2O3/c1-14(2,19)8-9-5-3-4-6-10(9)11-7-12(13(17)18)16-15-11/h3-7,19H,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPIYCOOBULJQGLU-UHFFFAOYSA-N
XLogP2.09
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[2-(2-hydroxy-2-methylpropyl)phenyl]-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-[2-(2-fluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117373132
3-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117459649
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 83395870
3-[2-(2-methylprop-2-enoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117399111
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111272
3-[2-[carbamoyl(methyl)amino]phenyl]-1H-pyrazole-5-carboxylic acid
CID 117404430
3-[4-(2,2-difluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117419278
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
3-(5-carboxy-2,3-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117404379
3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117367294
3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid
CID 117326348

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 115111275) is 3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid is CC(C)(O)Cc1ccccc1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is PIYCOOBULJQGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2,19)8-9-5-3-4-6-10(9)11-7-12(13(17)18)16-15-11/h3-7,19H,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxy-2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115111275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).