4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one

C13H15N3O — CID 135355259

IUPAC4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cn(C)c(=O)cc2C2CC2)cn1
InChIInChI=1S/C13H15N3O/c1-15-8-12(10-6-14-16(2)7-10)11(5-13(15)17)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyRKAPMMHVIIIODM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.66
Rot. Bonds2

About 4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one

4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 135355259) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID135355259
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cn(C)c(=O)cc2C2CC2)cn1
InChIInChI=1S/C13H15N3O/c1-15-8-12(10-6-14-16(2)7-10)11(5-13(15)17)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyRKAPMMHVIIIODM-UHFFFAOYSA-N
XLogP1.66
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one (CID 135355259) is 4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one is Cn1cc(-c2cn(C)c(=O)cc2C2CC2)cn1.
What is the InChIKey of 4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is RKAPMMHVIIIODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-15-8-12(10-6-14-16(2)7-10)11(5-13(15)17)9-3-4-9/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-methyl-5-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 135355259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).