1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid

C9H9F3N2O3 — CID 155257036

IUPAC1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CC(OC(F)(F)F)C2)c1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)17-7-1-6(2-7)14-4-5(3-13-14)8(15)16/h3-4,6-7H,1-2H2,(H,15,16)
InChIKeySFTZNTAWIXUABW-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.82
Rot. Bonds3

About 1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid

1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid (PubChem CID 155257036) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid
PubChem CID155257036
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CC(OC(F)(F)F)C2)c1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)17-7-1-6(2-7)14-4-5(3-13-14)8(15)16/h3-4,6-7H,1-2H2,(H,15,16)
InChIKeySFTZNTAWIXUABW-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(trifluoromethoxy)cyclobutyl]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 1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid (CID 155257036) is 1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CC(OC(F)(F)F)C2)c1.
What is the InChIKey of 1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid?
The InChIKey is SFTZNTAWIXUABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c10-9(11,12)17-7-1-6(2-7)14-4-5(3-13-14)8(15)16/h3-4,6-7H,1-2H2,(H,15,16).
What are the key properties of 1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid?
1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid has a molecular weight of 250.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 155257036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).