1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one

C18H19N3O — CID 135355317

IUPAC1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one
SMILESCCCn1cc(-c2cn(C)c(=O)cc2-c2ccccc2)cn1
InChIInChI=1S/C18H19N3O/c1-3-9-21-12-15(11-19-21)17-13-20(2)18(22)10-16(17)14-7-5-4-6-8-14/h4-8,10-13H,3,9H2,1-2H3
InChIKeyRUANSQZGQITTMQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.33
Rot. Bonds4

About 1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one

1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one (PubChem CID 135355317) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one
PubChem CID135355317
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one
SMILESCCCn1cc(-c2cn(C)c(=O)cc2-c2ccccc2)cn1
InChIInChI=1S/C18H19N3O/c1-3-9-21-12-15(11-19-21)17-13-20(2)18(22)10-16(17)14-7-5-4-6-8-14/h4-8,10-13H,3,9H2,1-2H3
InChIKeyRUANSQZGQITTMQ-UHFFFAOYSA-N
XLogP3.33
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one (CID 135355317) is 1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one is CCCn1cc(-c2cn(C)c(=O)cc2-c2ccccc2)cn1.
What is the InChIKey of 1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one?
The InChIKey is RUANSQZGQITTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-9-21-12-15(11-19-21)17-13-20(2)18(22)10-16(17)14-7-5-4-6-8-14/h4-8,10-13H,3,9H2,1-2H3.
What are the key properties of 1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one?
1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-5-(1-propylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 135355317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).