5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

C6H3F5N2O2 — CID 69129310

IUPAC5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)n[nH]c1C(F)F
InChIInChI=1S/C6H3F5N2O2/c7-4(8)2-1(5(14)15)3(13-12-2)6(9,10)11/h4H,(H,12,13)(H,14,15)
InChIKeyOEISKAOFWXITBU-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.06
Rot. Bonds2

About 5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 69129310) has the molecular formula C6H3F5N2O2 and a molecular weight of 230.09 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
PubChem CID69129310
Molecular FormulaC6H3F5N2O2
Molecular Weight230.09 g/mol
Exact Mass230.01
IUPAC Name5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)n[nH]c1C(F)F
InChIInChI=1S/C6H3F5N2O2/c7-4(8)2-1(5(14)15)3(13-12-2)6(9,10)11/h4H,(H,12,13)(H,14,15)
InChIKeyOEISKAOFWXITBU-UHFFFAOYSA-N
XLogP2.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethyl)-3-(trifluoromethyl)-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-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CID 69129310) is 5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1c(C(F)(F)F)n[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is OEISKAOFWXITBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5N2O2/c7-4(8)2-1(5(14)15)3(13-12-2)6(9,10)11/h4H,(H,12,13)(H,14,15).
What are the key properties of 5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 230.09 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 69129310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).