2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one

C10H7F3N2O — CID 131870997

IUPAC2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
SMILESO=C1CC=NN1c1ccccc1C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-2-4-8(7)15-9(16)5-6-14-15/h1-4,6H,5H2
InChIKeyTVPBGUTXNUJKJK-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.43
Rot. Bonds1

About 2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one

2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one (PubChem CID 131870997) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
PubChem CID131870997
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
SMILESO=C1CC=NN1c1ccccc1C(F)(F)F
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-2-4-8(7)15-9(16)5-6-14-15/h1-4,6H,5H2
InChIKeyTVPBGUTXNUJKJK-UHFFFAOYSA-N
XLogP2.43
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one 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-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one (CID 131870997) is 2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one is O=C1CC=NN1c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one?
The InChIKey is TVPBGUTXNUJKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-2-4-8(7)15-9(16)5-6-14-15/h1-4,6H,5H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one?
2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one has a molecular weight of 228.17 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-4H-pyrazol-3-one is sourced from PubChem (CID 131870997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).