5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid

C7H7F3N2O2 — CID 175566202

IUPAC5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1C(F)C(F)F
InChIInChI=1S/C7H7F3N2O2/c1-3-4(7(13)14)2-11-12(3)6(10)5(8)9/h2,5-6H,1H3,(H,13,14)
InChIKeyBHWZTVXVZFIDEI-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.62
Rot. Bonds3

About 5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid

5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid (PubChem CID 175566202) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
PubChem CID175566202
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1C(F)C(F)F
InChIInChI=1S/C7H7F3N2O2/c1-3-4(7(13)14)2-11-12(3)6(10)5(8)9/h2,5-6H,1H3,(H,13,14)
InChIKeyBHWZTVXVZFIDEI-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-(1,2,2-trifluoroethyl)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-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid (CID 175566202) is 5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1C(F)C(F)F.
What is the InChIKey of 5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid?
The InChIKey is BHWZTVXVZFIDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-3-4(7(13)14)2-11-12(3)6(10)5(8)9/h2,5-6H,1H3,(H,13,14).
What are the key properties of 5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid?
5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid has a molecular weight of 208.14 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 175566202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).