phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

C11H7F3N2O — CID 134965714

IUPACphenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1ccccc1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)9-6-8(15-16-9)10(17)7-4-2-1-3-5-7/h1-6H,(H,15,16)
InChIKeyJWKGICWMVVGZFR-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.66
Rot. Bonds2

About phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 134965714) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
PubChem CID134965714
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Namephenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1ccccc1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)9-6-8(15-16-9)10(17)7-4-2-1-3-5-7/h1-6H,(H,15,16)
InChIKeyJWKGICWMVVGZFR-UHFFFAOYSA-N
XLogP2.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
5-cyclopropyl-N-(1-phenylpropylideneamino)-1H-pyrazole-3-carboxamide
CID 9616968
2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone
CID 155424830
5-Phenyl-1H-pyrazole-3-carbaldehyde
CID 575563
1-(1H-indazol-3-yl)ethan-1-one
CID 15684169
5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 5343037
3-tert-butyl-N'-(1-methyl-2-phenylethylidene)-1H-pyrazole-5-carbohydrazide
CID 5409281
3-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 53017439
1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90354733
3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide
CID 701924
5-Phenyl-2H-pyrazole-3-carboxylic acid cyclohexylidene-hydrazide
CID 820056
N'-cyclopentylidene-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 820058

Frequently Asked Questions

What is the IUPAC name of phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone (CID 134965714) is phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is O=C(c1ccccc1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is JWKGICWMVVGZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)9-6-8(15-16-9)10(17)7-4-2-1-3-5-7/h1-6H,(H,15,16).
What are the key properties of phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone?
phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 240.18 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 134965714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).