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

C21H17N3O — CID 753119

IUPAC1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1C
InChIInChI=1S/C21H17N3O/c1-14-18(15(2)25)13-22-21-19(16-9-5-3-6-10-16)20(23-24(14)21)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyVXVURWSWONVWCM-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.57
Rot. Bonds3

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

1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 753119) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID753119
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1C
InChIInChI=1S/C21H17N3O/c1-14-18(15(2)25)13-22-21-19(16-9-5-3-6-10-16)20(23-24(14)21)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyVXVURWSWONVWCM-UHFFFAOYSA-N
XLogP4.57
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 753119) is 1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is CC(=O)c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1C.
What is the InChIKey of 1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is VXVURWSWONVWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-14-18(15(2)25)13-22-21-19(16-9-5-3-6-10-16)20(23-24(14)21)17-11-7-4-8-12-17/h3-13H,1-2H3.
What are the key properties of 1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 327.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 753119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).