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

C10H8F3N3O — CID 138679468

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one
SMILESCn1cc(-c2ccc(=O)[nH]c2)c(C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3O/c1-16-5-7(9(15-16)10(11,12)13)6-2-3-8(17)14-4-6/h2-5H,1H3,(H,14,17)
InChIKeyDNQHXVWJQMARSA-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.79
Rot. Bonds1

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

5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one (PubChem CID 138679468) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one
PubChem CID138679468
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one
SMILESCn1cc(-c2ccc(=O)[nH]c2)c(C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3O/c1-16-5-7(9(15-16)10(11,12)13)6-2-3-8(17)14-4-6/h2-5H,1H3,(H,14,17)
InChIKeyDNQHXVWJQMARSA-UHFFFAOYSA-N
XLogP1.79
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-1H-pyrazol-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1235974
4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one
CID 117883996
1-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-prop-1-en-2-yl-3-(trifluoromethyl)pyrazole
CID 143614594
N-[(3Z)-3-ethenyl-4-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluorohexa-3,5-dienyl]acetamide
CID 166491393
6-chloro-4-(1,4-dimethylpyrazol-5-yl)-5-fluoro-1H-pyridin-2-one
CID 166928387
N-[(1S)-1-ethylcyclohexa-2,4-dien-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 174896649
3-(difluoromethyl)-N-[(1S)-1-ethylcyclohexa-2,4-dien-1-yl]-1-methylpyrazole-4-carboxamide
CID 174896671
3-(difluoromethyl)-N-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-1-methylpyrazole-4-carboxamide
CID 174896700
N-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 174897095
N-(6-cyclopropylidenecyclohexa-2,4-dien-1-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 176043117
ethane;5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyridin-2-one
CID 178058322
N-[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4771845

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one (CID 138679468) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one is Cn1cc(-c2ccc(=O)[nH]c2)c(C(F)(F)F)n1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one?
The InChIKey is DNQHXVWJQMARSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-16-5-7(9(15-16)10(11,12)13)6-2-3-8(17)14-4-6/h2-5H,1H3,(H,14,17).
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one?
5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one has a molecular weight of 243.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138679468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).