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

C17H14F3N3O — CID 46834058

IUPAC5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O/c1-11-14(10-12-5-4-6-13(9-12)17(18,19)20)16(24)23(22-11)15-7-2-3-8-21-15/h2-9,22H,10H2,1H3
InChIKeyADDGNELFLROZGQ-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.48
Rot. Bonds3

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

5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one (PubChem CID 46834058) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
PubChem CID46834058
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O/c1-11-14(10-12-5-4-6-13(9-12)17(18,19)20)16(24)23(22-11)15-7-2-3-8-21-15/h2-9,22H,10H2,1H3
InChIKeyADDGNELFLROZGQ-UHFFFAOYSA-N
XLogP3.48
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
CID 178069330
4-[(4-hydroxyphenyl)methyl]-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 46834055
2-[(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)methyl]benzonitrile
CID 46833770
5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydropyrazole-3-carbaldehyde
CID 175269430
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyrazol-3-one
CID 141273226
4-(hydroxymethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 117123353
6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 83950321
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
4-benzyl-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 69343421
ethyl 3-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-1H-pyrazole-4-carboxylate
CID 156735657
2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 1124881

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one (CID 46834058) is 5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccn2)c(=O)c1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one?
The InChIKey is ADDGNELFLROZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-11-14(10-12-5-4-6-13(9-12)17(18,19)20)16(24)23(22-11)15-7-2-3-8-21-15/h2-9,22H,10H2,1H3.
What are the key properties of 5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one?
5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one has a molecular weight of 333.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one is sourced from PubChem (CID 46834058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).