3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid

C11H8F2N2O2 — CID 43141375

IUPAC3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C11H8F2N2O2/c1-15-5-8(11(16)17)10(14-15)7-3-2-6(12)4-9(7)13/h2-5H,1H3,(H,16,17)
InChIKeyVGUNYHHEBPOGFC-UHFFFAOYSA-N
MW238.19 g/mol
LogP2.06
Rot. Bonds2

About 3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid

3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 43141375) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID43141375
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C11H8F2N2O2/c1-15-5-8(11(16)17)10(14-15)7-3-2-6(12)4-9(7)13/h2-5H,1H3,(H,16,17)
InChIKeyVGUNYHHEBPOGFC-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-difluorophenyl)-1-methylpyrazole-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 3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid (CID 43141375) is 3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(-c2ccc(F)cc2F)n1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is VGUNYHHEBPOGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c1-15-5-8(11(16)17)10(14-15)7-3-2-6(12)4-9(7)13/h2-5H,1H3,(H,16,17).
What are the key properties of 3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid?
3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 238.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43141375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).