4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one

C11H10F3N3O — CID 973103

IUPAC4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one
SMILESCc1cc(C)c(-c2cc(C(F)(F)F)[nH]n2)c(=O)[nH]1
InChIInChI=1S/C11H10F3N3O/c1-5-3-6(2)15-10(18)9(5)7-4-8(17-16-7)11(12,13)14/h3-4H,1-2H3,(H,15,18)(H,16,17)
InChIKeyCWAKKSUVMLKKAX-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.40
Rot. Bonds1

About 4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one

4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one (PubChem CID 973103) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one
PubChem CID973103
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one
SMILESCc1cc(C)c(-c2cc(C(F)(F)F)[nH]n2)c(=O)[nH]1
InChIInChI=1S/C11H10F3N3O/c1-5-3-6(2)15-10(18)9(5)7-4-8(17-16-7)11(12,13)14/h3-4H,1-2H3,(H,15,18)(H,16,17)
InChIKeyCWAKKSUVMLKKAX-UHFFFAOYSA-N
XLogP2.40
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one (CID 973103) is 4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one is Cc1cc(C)c(-c2cc(C(F)(F)F)[nH]n2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one?
The InChIKey is CWAKKSUVMLKKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-5-3-6(2)15-10(18)9(5)7-4-8(17-16-7)11(12,13)14/h3-4H,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one?
4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one has a molecular weight of 257.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 973103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).