5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one

C17H17N3O — CID 67455915

IUPAC5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C(C)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12(14-8-4-3-5-9-14)16-13(2)19-20(17(16)21)15-10-6-7-11-18-15/h3-12,19H,1-2H3
InChIKeyQCUKWJAWMYFUOA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.02
Rot. Bonds3

About 5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one

5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 67455915) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID67455915
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C(C)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12(14-8-4-3-5-9-14)16-13(2)19-20(17(16)21)15-10-6-7-11-18-15/h3-12,19H,1-2H3
InChIKeyQCUKWJAWMYFUOA-UHFFFAOYSA-N
XLogP3.02
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one (CID 67455915) is 5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccn2)c(=O)c1C(C)c1ccccc1.
What is the InChIKey of 5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is QCUKWJAWMYFUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(14-8-4-3-5-9-14)16-13(2)19-20(17(16)21)15-10-6-7-11-18-15/h3-12,19H,1-2H3.
What are the key properties of 5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 279.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 67455915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).