2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one

C15H13N3O — CID 155981981

IUPAC2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]c(-c3ccccc3)cc2=O)nc1
InChIInChI=1S/C15H13N3O/c1-11-7-8-14(16-10-11)18-15(19)9-13(17-18)12-5-3-2-4-6-12/h2-10,17H,1H3
InChIKeySKJOGGJAXXEJKE-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.54
Rot. Bonds2

About 2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one

2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one (PubChem CID 155981981) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one
PubChem CID155981981
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]c(-c3ccccc3)cc2=O)nc1
InChIInChI=1S/C15H13N3O/c1-11-7-8-14(16-10-11)18-15(19)9-13(17-18)12-5-3-2-4-6-12/h2-10,17H,1H3
InChIKeySKJOGGJAXXEJKE-UHFFFAOYSA-N
XLogP2.54
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one (CID 155981981) is 2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one is Cc1ccc(-n2[nH]c(-c3ccccc3)cc2=O)nc1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one?
The InChIKey is SKJOGGJAXXEJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-7-8-14(16-10-11)18-15(19)9-13(17-18)12-5-3-2-4-6-12/h2-10,17H,1H3.
What are the key properties of 2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one?
2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one has a molecular weight of 251.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 155981981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).