5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

C11H10N2O3 — CID 3782278

IUPAC5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc(-c2[nH]ncc2C(=O)O)cc1
InChIInChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)10-9(11(14)15)6-12-13-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyYNHHGNUVCCLFDC-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.78
Rot. Bonds3

About 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 3782278) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
PubChem CID3782278
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc(-c2[nH]ncc2C(=O)O)cc1
InChIInChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)10-9(11(14)15)6-12-13-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyYNHHGNUVCCLFDC-UHFFFAOYSA-N
XLogP1.78
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-methoxyphenyl)-1H-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 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid (CID 3782278) is 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid is COc1ccc(-c2[nH]ncc2C(=O)O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is YNHHGNUVCCLFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)10-9(11(14)15)6-12-13-10/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid?
5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 3782278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).