5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one

C18H17F2N3O — CID 140929063

IUPAC5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cnn(Cc3cccc(C(F)F)c3)c2)cn(C)c1=O
InChIInChI=1S/C18H17F2N3O/c1-12-6-15(10-22(2)18(12)24)16-8-21-23(11-16)9-13-4-3-5-14(7-13)17(19)20/h3-8,10-11,17H,9H2,1-2H3
InChIKeyCFHNNNUHYTXZJQ-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.54
Rot. Bonds4

About 5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one

5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one (PubChem CID 140929063) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one
PubChem CID140929063
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cnn(Cc3cccc(C(F)F)c3)c2)cn(C)c1=O
InChIInChI=1S/C18H17F2N3O/c1-12-6-15(10-22(2)18(12)24)16-8-21-23(11-16)9-13-4-3-5-14(7-13)17(19)20/h3-8,10-11,17H,9H2,1-2H3
InChIKeyCFHNNNUHYTXZJQ-UHFFFAOYSA-N
XLogP3.54
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 1225887
[1-[(1-Ethyl-4-pyrazolyl)methyl]-3-piperidinyl]-[3-(trifluoromethyl)phenyl]methanone
CID 44629407
[1-[(1-Propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 57399514
N-(2-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225332
2-Methyl-4-(1-methylpyrazol-4-yl)isoquinolin-1-one
CID 118022266
US10617680, Example 160
CID 135355041
US10617680, Example 190
CID 135355186
US10617680, Example 149
CID 135355382
US10617680, Example 91
CID 135355383
US10617680, Example 92
CID 135355386
US10617680, Example 147
CID 135355506

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one (CID 140929063) is 5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2cnn(Cc3cccc(C(F)F)c3)c2)cn(C)c1=O.
What is the InChIKey of 5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is CFHNNNUHYTXZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-12-6-15(10-22(2)18(12)24)16-8-21-23(11-16)9-13-4-3-5-14(7-13)17(19)20/h3-8,10-11,17H,9H2,1-2H3.
What are the key properties of 5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one?
5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 329.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 140929063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).