4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one

C16H15N3O — CID 46834606

IUPAC4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1Cc1ccccc1
InChIInChI=1S/C16H15N3O/c1-12-14(11-13-7-3-2-4-8-13)16(20)19(18-12)15-9-5-6-10-17-15/h2-10,18H,11H2,1H3
InChIKeyBNACOCOEQLPNMG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.46
Rot. Bonds3

About 4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one

4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 46834606) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID46834606
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1Cc1ccccc1
InChIInChI=1S/C16H15N3O/c1-12-14(11-13-7-3-2-4-8-13)16(20)19(18-12)15-9-5-6-10-17-15/h2-10,18H,11H2,1H3
InChIKeyBNACOCOEQLPNMG-UHFFFAOYSA-N
XLogP2.46
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one (CID 46834606) is 4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccn2)c(=O)c1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is BNACOCOEQLPNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-14(11-13-7-3-2-4-8-13)16(20)19(18-12)15-9-5-6-10-17-15/h2-10,18H,11H2,1H3.
What are the key properties of 4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one?
4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 265.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-methyl-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 46834606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).