5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one

C23H21N3O2 — CID 135355323

IUPAC5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1cccc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C23H21N3O2/c1-25-16-22(19-13-24-26(15-19)14-17-7-4-3-5-8-17)21(12-23(25)27)18-9-6-10-20(11-18)28-2/h3-13,15-16H,14H2,1-2H3
InChIKeySGBLXBSVMMYGTO-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.97
Rot. Bonds5

About 5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one

5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one (PubChem CID 135355323) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one
PubChem CID135355323
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one
SMILESCOc1cccc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C23H21N3O2/c1-25-16-22(19-13-24-26(15-19)14-17-7-4-3-5-8-17)21(12-23(25)27)18-9-6-10-20(11-18)28-2/h3-13,15-16H,14H2,1-2H3
InChIKeySGBLXBSVMMYGTO-UHFFFAOYSA-N
XLogP3.97
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one (CID 135355323) is 5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one is COc1cccc(-c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one?
The InChIKey is SGBLXBSVMMYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-25-16-22(19-13-24-26(15-19)14-17-7-4-3-5-8-17)21(12-23(25)27)18-9-6-10-20(11-18)28-2/h3-13,15-16H,14H2,1-2H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one?
5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one has a molecular weight of 371.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-4-(3-methoxyphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 135355323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).