1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

C16H15N3O — CID 754766

IUPAC1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C
InChIInChI=1S/C16H15N3O/c1-10-15(13-7-5-4-6-8-13)16-17-9-14(12(3)20)11(2)19(16)18-10/h4-9H,1-3H3
InChIKeyHYMJWCGWVHFGAH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.22
Rot. Bonds2

About 1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 754766) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID754766
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C
InChIInChI=1S/C16H15N3O/c1-10-15(13-7-5-4-6-8-13)16-17-9-14(12(3)20)11(2)19(16)18-10/h4-9H,1-3H3
InChIKeyHYMJWCGWVHFGAH-UHFFFAOYSA-N
XLogP3.22
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone 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 1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 754766) is 1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is CC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C.
What is the InChIKey of 1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is HYMJWCGWVHFGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-15(13-7-5-4-6-8-13)16-17-9-14(12(3)20)11(2)19(16)18-10/h4-9H,1-3H3.
What are the key properties of 1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 265.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 754766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).