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

C19H19N3O — CID 135355056

IUPAC5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(CC3CC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C19H19N3O/c1-21-13-18(16-10-20-22(12-16)11-14-7-8-14)17(9-19(21)23)15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3
InChIKeyNFOKOXBHZVNSJR-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.33
Rot. Bonds4

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

5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one (PubChem CID 135355056) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
PubChem CID135355056
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(CC3CC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C19H19N3O/c1-21-13-18(16-10-20-22(12-16)11-14-7-8-14)17(9-19(21)23)15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3
InChIKeyNFOKOXBHZVNSJR-UHFFFAOYSA-N
XLogP3.33
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one (CID 135355056) is 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The canonical SMILES for 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one is Cn1cc(-c2cnn(CC3CC3)c2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
The InChIKey is NFOKOXBHZVNSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-21-13-18(16-10-20-22(12-16)11-14-7-8-14)17(9-19(21)23)15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3.
What are the key properties of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one?
5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one has a molecular weight of 305.38 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 5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-methyl-4-phenylpyridin-2-one is sourced from PubChem (CID 135355056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).