2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid

C9H7F3N2O3 — CID 71185030

IUPAC2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
SMILESO=C(O)CC1Cc2[nH]nc(C(F)(F)F)c2C1=O
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)8-6-4(13-14-8)1-3(7(6)17)2-5(15)16/h3H,1-2H2,(H,13,14)(H,15,16)
InChIKeyCNKCSTZRGPGEBA-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.26
Rot. Bonds2

About 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid

2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid (PubChem CID 71185030) has the molecular formula C9H7F3N2O3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
PubChem CID71185030
Molecular FormulaC9H7F3N2O3
Molecular Weight248.16 g/mol
Exact Mass248.04
IUPAC Name2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
SMILESO=C(O)CC1Cc2[nH]nc(C(F)(F)F)c2C1=O
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)8-6-4(13-14-8)1-3(7(6)17)2-5(15)16/h3H,1-2H2,(H,13,14)(H,15,16)
InChIKeyCNKCSTZRGPGEBA-UHFFFAOYSA-N
XLogP1.26
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic 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 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid?
The IUPAC name of 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid (CID 71185030) is 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid is O=C(O)CC1Cc2[nH]nc(C(F)(F)F)c2C1=O.
What is the InChIKey of 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid?
The InChIKey is CNKCSTZRGPGEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O3/c10-9(11,12)8-6-4(13-14-8)1-3(7(6)17)2-5(15)16/h3H,1-2H2,(H,13,14)(H,15,16).
What are the key properties of 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid?
2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid has a molecular weight of 248.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid is sourced from PubChem (CID 71185030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).