pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone

C11H7F3N2O — CID 110464334

IUPACpyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)n1cccn1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)9-4-2-8(3-5-9)10(17)16-7-1-6-15-16/h1-7H
InChIKeyOOUBHCUBTBSZAV-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.59
Rot. Bonds1

About pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone

pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 110464334) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namepyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID110464334
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Namepyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)n1cccn1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)9-4-2-8(3-5-9)10(17)16-7-1-6-15-16/h1-7H
InChIKeyOOUBHCUBTBSZAV-UHFFFAOYSA-N
XLogP2.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone 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 pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone (CID 110464334) is pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)n1cccn1.
What is the InChIKey of pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is OOUBHCUBTBSZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)9-4-2-8(3-5-9)10(17)16-7-1-6-15-16/h1-7H.
What are the key properties of pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone?
pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 240.18 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 110464334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).