5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

C11H7F5N2O — CID 66022293

IUPAC5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESO=c1cc(C(F)F)[nH]n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H7F5N2O/c12-10(13)8-5-9(19)18(17-8)7-3-1-2-6(4-7)11(14,15)16/h1-5,10,17H
InChIKeyVXOKOADOSJWFFY-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.12
Rot. Bonds2

About 5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (PubChem CID 66022293) has the molecular formula C11H7F5N2O and a molecular weight of 278.18 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
PubChem CID66022293
Molecular FormulaC11H7F5N2O
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESO=c1cc(C(F)F)[nH]n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H7F5N2O/c12-10(13)8-5-9(19)18(17-8)7-3-1-2-6(4-7)11(14,15)16/h1-5,10,17H
InChIKeyVXOKOADOSJWFFY-UHFFFAOYSA-N
XLogP3.12
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[3-(trifluoromethyl)phenyl]-1H-pyridazine-3,6-dione
CID 20513822
5-pyrazin-2-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 171682403
4-amino-5-cyclopropyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 103994862
4-(hydroxymethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 117123353
5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-thione
CID 62410590
2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1H-thieno[3,2-c]pyrazol-3-one
CID 10424092
5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 141151683
2-(3-phenylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 131871216
5-tert-butyl-4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 117123765
2-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetic acid
CID 115068704
5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 59707171
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The IUPAC name of 5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CID 66022293) is 5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is O=c1cc(C(F)F)[nH]n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The InChIKey is VXOKOADOSJWFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2O/c12-10(13)8-5-9(19)18(17-8)7-3-1-2-6(4-7)11(14,15)16/h1-5,10,17H.
What are the key properties of 5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one has a molecular weight of 278.18 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 66022293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).