1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one

C10H9F2N3O — CID 90247301

IUPAC1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one
SMILESCc1ccn(-c2ccc(=O)n(C(F)F)c2)n1
InChIInChI=1S/C10H9F2N3O/c1-7-4-5-15(13-7)8-2-3-9(16)14(6-8)10(11)12/h2-6,10H,1H3
InChIKeyRIQAQGVSWQLNJD-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.74
Rot. Bonds2

About 1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one

1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one (PubChem CID 90247301) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one
PubChem CID90247301
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one
SMILESCc1ccn(-c2ccc(=O)n(C(F)F)c2)n1
InChIInChI=1S/C10H9F2N3O/c1-7-4-5-15(13-7)8-2-3-9(16)14(6-8)10(11)12/h2-6,10H,1H3
InChIKeyRIQAQGVSWQLNJD-UHFFFAOYSA-N
XLogP1.74
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one (CID 90247301) is 1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one is Cc1ccn(-c2ccc(=O)n(C(F)F)c2)n1.
What is the InChIKey of 1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one?
The InChIKey is RIQAQGVSWQLNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-7-4-5-15(13-7)8-2-3-9(16)14(6-8)10(11)12/h2-6,10H,1H3.
What are the key properties of 1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one?
1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one has a molecular weight of 225.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-(3-methylpyrazol-1-yl)pyridin-2-one is sourced from PubChem (CID 90247301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).