5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid

C10H7F3N2O2S — CID 63377869

IUPAC5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)8-3-4-15(14-8)5-6-1-2-7(18-6)9(16)17/h1-4H,5H2,(H,16,17)
InChIKeyPTNSHEZSIBDYTF-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.71
Rot. Bonds3

About 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid

5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 63377869) has the molecular formula C10H7F3N2O2S and a molecular weight of 276.24 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
PubChem CID63377869
Molecular FormulaC10H7F3N2O2S
Molecular Weight276.24 g/mol
Exact Mass276.02
IUPAC Name5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)8-3-4-15(14-8)5-6-1-2-7(18-6)9(16)17/h1-4H,5H2,(H,16,17)
InChIKeyPTNSHEZSIBDYTF-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-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-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid (CID 63377869) is 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(Cn2ccc(C(F)(F)F)n2)s1.
What is the InChIKey of 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is PTNSHEZSIBDYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S/c11-10(12,13)8-3-4-15(14-8)5-6-1-2-7(18-6)9(16)17/h1-4H,5H2,(H,16,17).
What are the key properties of 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid?
5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 276.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63377869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).