1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid

C12H12N2O3 — CID 43565362

IUPAC1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)cn2)cc1
InChIInChI=1S/C12H12N2O3/c1-17-11-4-2-9(3-5-11)7-14-8-10(6-13-14)12(15)16/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyJMWJJDKQQMMJRG-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.64
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid

1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid (PubChem CID 43565362) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
PubChem CID43565362
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)cn2)cc1
InChIInChI=1S/C12H12N2O3/c1-17-11-4-2-9(3-5-11)7-14-8-10(6-13-14)12(15)16/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyJMWJJDKQQMMJRG-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxyphenyl)methyl]pyrazole-4-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 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid (CID 43565362) is 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid is COc1ccc(Cn2cc(C(=O)O)cn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is JMWJJDKQQMMJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-11-4-2-9(3-5-11)7-14-8-10(6-13-14)12(15)16/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid?
1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 43565362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).