6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one

C15H15N3O — CID 3236403

IUPAC6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCC1C(=O)n2nc(-c3ccccc3)cc2N=C1C
InChIInChI=1S/C15H15N3O/c1-3-12-10(2)16-14-9-13(17-18(14)15(12)19)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3
InChIKeyWJPIOIJJNAXJCG-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.32
Rot. Bonds2

About 6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one

6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 3236403) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID3236403
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCC1C(=O)n2nc(-c3ccccc3)cc2N=C1C
InChIInChI=1S/C15H15N3O/c1-3-12-10(2)16-14-9-13(17-18(14)15(12)19)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3
InChIKeyWJPIOIJJNAXJCG-UHFFFAOYSA-N
XLogP3.32
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-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 6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one (CID 3236403) is 6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one is CCC1C(=O)n2nc(-c3ccccc3)cc2N=C1C.
What is the InChIKey of 6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WJPIOIJJNAXJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-12-10(2)16-14-9-13(17-18(14)15(12)19)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one?
6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 253.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-phenyl-6H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 3236403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).