2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one

C17H12F3N3O — CID 51037421

IUPAC2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one
SMILESO=c1cc(/C=C/c2ccc(C(F)(F)F)cc2)[nH]n1-c1ccccn1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-7-4-12(5-8-13)6-9-14-11-16(24)23(22-14)15-3-1-2-10-21-15/h1-11,22H/b9-6+
InChIKeyLRYNPSGORCFGRQ-RMKNXTFCSA-N
MW331.30 g/mol
LogP3.75
Rot. Bonds3

About 2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one

2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one (PubChem CID 51037421) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one
PubChem CID51037421
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one
SMILESO=c1cc(/C=C/c2ccc(C(F)(F)F)cc2)[nH]n1-c1ccccn1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-7-4-12(5-8-13)6-9-14-11-16(24)23(22-14)15-3-1-2-10-21-15/h1-11,22H/b9-6+
InChIKeyLRYNPSGORCFGRQ-RMKNXTFCSA-N
XLogP3.75
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-4-phenyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 13590499
N-(4-(Trifluoromethyl)phenyl)-1-(3-(trifluoromethyl)-pyridin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11338988
DMT1 blocker 2
CID 25016113
7-phenyl-2-pyridin-2-yl-4,5-dihydro-2H-benzo[e]indazol-1-ol
CID 25016883
5-methyl-2-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 25096820
5-methyl-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 25097072
4-(5-Hydroxy-3-methyl-1-(pyridin-2-yl)-1h-pyrazol-4-yl)benzonitrile
CID 25097581
4-(4-Fluorophenyl)-3-methyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 25097582
DMT1 blocker 1
CID 25098135
5-methyl-3-oxo-2-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 25098138
5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 25098140
5-methyl-N-(4-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 25098141

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one?
The IUPAC name of 2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one (CID 51037421) is 2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one?
The canonical SMILES for 2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one is O=c1cc(/C=C/c2ccc(C(F)(F)F)cc2)[nH]n1-c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one?
The InChIKey is LRYNPSGORCFGRQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)13-7-4-12(5-8-13)6-9-14-11-16(24)23(22-14)15-3-1-2-10-21-15/h1-11,22H/b9-6+.
What are the key properties of 2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one?
2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one has a molecular weight of 331.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 51037421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).