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

C11H9FN2O2 — CID 83810699

IUPAC5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid
SMILESCc1cccc(-c2[nH]ncc2C(=O)O)c1F
InChIInChI=1S/C11H9FN2O2/c1-6-3-2-4-7(9(6)12)10-8(11(15)16)5-13-14-10/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyGDDMYZAJAPIQQI-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.22
Rot. Bonds2

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

5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 83810699) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid
PubChem CID83810699
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid
SMILESCc1cccc(-c2[nH]ncc2C(=O)O)c1F
InChIInChI=1S/C11H9FN2O2/c1-6-3-2-4-7(9(6)12)10-8(11(15)16)5-13-14-10/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyGDDMYZAJAPIQQI-UHFFFAOYSA-N
XLogP2.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(2-fluoro-3-methylphenyl)-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-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid (CID 83810699) is 5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid is Cc1cccc(-c2[nH]ncc2C(=O)O)c1F.
What is the InChIKey of 5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is GDDMYZAJAPIQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-6-3-2-4-7(9(6)12)10-8(11(15)16)5-13-14-10/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid?
5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 83810699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).