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

C11H8F5N3O — CID 162651648

IUPAC1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
SMILESCn1nc(C(F)(F)F)cc1-c1ccn(C(F)F)c(=O)c1
InChIInChI=1S/C11H8F5N3O/c1-18-7(5-8(17-18)11(14,15)16)6-2-3-19(10(12)13)9(20)4-6/h2-5,10H,1H3
InChIKeyRGPXNWIEBIICBE-UHFFFAOYSA-N
MW293.20 g/mol
LogP2.66
Rot. Bonds2

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

1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one (PubChem CID 162651648) has the molecular formula C11H8F5N3O and a molecular weight of 293.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
PubChem CID162651648
Molecular FormulaC11H8F5N3O
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC Name1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
SMILESCn1nc(C(F)(F)F)cc1-c1ccn(C(F)F)c(=O)c1
InChIInChI=1S/C11H8F5N3O/c1-18-7(5-8(17-18)11(14,15)16)6-2-3-19(10(12)13)9(20)4-6/h2-5,10H,1H3
InChIKeyRGPXNWIEBIICBE-UHFFFAOYSA-N
XLogP2.66
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one (CID 162651648) is 1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one is Cn1nc(C(F)(F)F)cc1-c1ccn(C(F)F)c(=O)c1.
What is the InChIKey of 1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
The InChIKey is RGPXNWIEBIICBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5N3O/c1-18-7(5-8(17-18)11(14,15)16)6-2-3-19(10(12)13)9(20)4-6/h2-5,10H,1H3.
What are the key properties of 1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one has a molecular weight of 293.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one is sourced from PubChem (CID 162651648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).