1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one

C12H13F2N3O — CID 118593114

IUPAC1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one
SMILESCC(C)c1ccn(-c2ccc(=O)n(C(F)F)c2)n1
InChIInChI=1S/C12H13F2N3O/c1-8(2)10-5-6-17(15-10)9-3-4-11(18)16(7-9)12(13)14/h3-8,12H,1-2H3
InChIKeyOREDYUMDVYDDQI-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.55
Rot. Bonds3

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

1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one (PubChem CID 118593114) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one
PubChem CID118593114
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one
SMILESCC(C)c1ccn(-c2ccc(=O)n(C(F)F)c2)n1
InChIInChI=1S/C12H13F2N3O/c1-8(2)10-5-6-17(15-10)9-3-4-11(18)16(7-9)12(13)14/h3-8,12H,1-2H3
InChIKeyOREDYUMDVYDDQI-UHFFFAOYSA-N
XLogP2.55
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.55
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-propan-2-ylpyrazol-1-yl)pyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one (CID 118593114) is 1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one is CC(C)c1ccn(-c2ccc(=O)n(C(F)F)c2)n1.
What is the InChIKey of 1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one?
The InChIKey is OREDYUMDVYDDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-8(2)10-5-6-17(15-10)9-3-4-11(18)16(7-9)12(13)14/h3-8,12H,1-2H3.
What are the key properties of 1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one?
1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one has a molecular weight of 253.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-(3-propan-2-ylpyrazol-1-yl)pyridin-2-one is sourced from PubChem (CID 118593114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).