2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one

C10H7F3N2O — CID 668302

IUPAC2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
SMILESO=C1CC(C(F)(F)F)=NN1c1ccccc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyGLGRRRKQSFURGD-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.34
Rot. Bonds1

About 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one

2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one (PubChem CID 668302) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
PubChem CID668302
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
SMILESO=C1CC(C(F)(F)F)=NN1c1ccccc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyGLGRRRKQSFURGD-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
The IUPAC name of 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one (CID 668302) is 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
The canonical SMILES for 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one is O=C1CC(C(F)(F)F)=NN1c1ccccc1.
What is the InChIKey of 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
The InChIKey is GLGRRRKQSFURGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one has a molecular weight of 228.17 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 668302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).