1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one

C19H21N3O — CID 135355509

IUPAC1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one
SMILESCC(C)Cn1cc(-c2cn(C)c(=O)cc2-c2ccccc2)cn1
InChIInChI=1S/C19H21N3O/c1-14(2)11-22-12-16(10-20-22)18-13-21(3)19(23)9-17(18)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3
InChIKeyLORKLVCLTOMUMC-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.57
Rot. Bonds4

About 1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one

1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one (PubChem CID 135355509) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one
PubChem CID135355509
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one
SMILESCC(C)Cn1cc(-c2cn(C)c(=O)cc2-c2ccccc2)cn1
InChIInChI=1S/C19H21N3O/c1-14(2)11-22-12-16(10-20-22)18-13-21(3)19(23)9-17(18)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3
InChIKeyLORKLVCLTOMUMC-UHFFFAOYSA-N
XLogP3.57
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The IUPAC name of 1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one (CID 135355509) is 1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one is CC(C)Cn1cc(-c2cn(C)c(=O)cc2-c2ccccc2)cn1.
What is the InChIKey of 1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The InChIKey is LORKLVCLTOMUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(2)11-22-12-16(10-20-22)18-13-21(3)19(23)9-17(18)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3.
What are the key properties of 1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one?
1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one has a molecular weight of 307.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-4-phenylpyridin-2-one is sourced from PubChem (CID 135355509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).