1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone

C11H7F3N2O2 — CID 21480354

IUPAC1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1cn[nH]c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)18-9-3-1-2-7(4-9)10(17)8-5-15-16-6-8/h1-6H,(H,15,16)
InChIKeyTYQDEJWBMQKZNX-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.54
Rot. Bonds3

About 1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone

1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 21480354) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID21480354
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1cn[nH]c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)18-9-3-1-2-7(4-9)10(17)8-5-15-16-6-8/h1-6H,(H,15,16)
InChIKeyTYQDEJWBMQKZNX-UHFFFAOYSA-N
XLogP2.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-pyrazol-4-yl-[3-(trifluoromethoxy)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 1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of 1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone (CID 21480354) is 1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for 1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for 1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone is O=C(c1cn[nH]c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is TYQDEJWBMQKZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)18-9-3-1-2-7(4-9)10(17)8-5-15-16-6-8/h1-6H,(H,15,16).
What are the key properties of 1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone?
1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 256.18 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 21480354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).