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

C10H8F3N3O — CID 172713031

IUPAC5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(-n2cc(C(F)(F)F)cn2)c1
InChIInChI=1S/C10H8F3N3O/c1-6-2-8(9(17)14-3-6)16-5-7(4-15-16)10(11,12)13/h2-5H,1H3,(H,14,17)
InChIKeyFMNDZRNRPLJFEZ-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.89
Rot. Bonds1

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

5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one (PubChem CID 172713031) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one
PubChem CID172713031
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(-n2cc(C(F)(F)F)cn2)c1
InChIInChI=1S/C10H8F3N3O/c1-6-2-8(9(17)14-3-6)16-5-7(4-15-16)10(11,12)13/h2-5H,1H3,(H,14,17)
InChIKeyFMNDZRNRPLJFEZ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one (CID 172713031) is 5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one is Cc1c[nH]c(=O)c(-n2cc(C(F)(F)F)cn2)c1.
What is the InChIKey of 5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one?
The InChIKey is FMNDZRNRPLJFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-6-2-8(9(17)14-3-6)16-5-7(4-15-16)10(11,12)13/h2-5H,1H3,(H,14,17).
What are the key properties of 5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one?
5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one has a molecular weight of 243.19 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 172713031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).