3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid

C12H12N2O3 — CID 83864128

IUPAC3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H12N2O3/c1-8-3-5-9(6-4-8)14-10(12(15)16)7-11(13-14)17-2/h3-7H,1-2H3,(H,15,16)
InChIKeyMUOPQTJRLBZHDO-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.89
Rot. Bonds3

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

3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid (PubChem CID 83864128) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid
PubChem CID83864128
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H12N2O3/c1-8-3-5-9(6-4-8)14-10(12(15)16)7-11(13-14)17-2/h3-7H,1-2H3,(H,15,16)
InChIKeyMUOPQTJRLBZHDO-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-1-(4-methylphenyl)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-amino-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 83864095
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
3-formyl-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 18177264
2-(4-bromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 2769597
1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole
CID 174579266
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
CID 150185883
N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-1-phenylpyrazole-5-carboxamide
CID 100830430
2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
CID 58806820
1-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91872022
1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 22831933
4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
CID 169228604
3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide
CID 100830431

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid (CID 83864128) is 3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid is COc1cc(C(=O)O)n(-c2ccc(C)cc2)n1.
What is the InChIKey of 3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is MUOPQTJRLBZHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-3-5-9(6-4-8)14-10(12(15)16)7-11(13-14)17-2/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid?
3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 83864128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).