5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H15N3O — CID 5039735

IUPAC5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H15N3O/c1-13-12-16(23)22-19(20-13)17(14-8-4-2-5-9-14)18(21-22)15-10-6-3-7-11-15/h2-12,21H,1H3
InChIKeyZYYDLZRSVOIWCY-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.67
Rot. Bonds2

About 5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 5039735) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID5039735
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H15N3O/c1-13-12-16(23)22-19(20-13)17(14-8-4-2-5-9-14)18(21-22)15-10-6-3-7-11-15/h2-12,21H,1H3
InChIKeyZYYDLZRSVOIWCY-UHFFFAOYSA-N
XLogP3.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 5039735) is 5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZYYDLZRSVOIWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-12-16(23)22-19(20-13)17(14-8-4-2-5-9-14)18(21-22)15-10-6-3-7-11-15/h2-12,21H,1H3.
What are the key properties of 5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 301.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 5039735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).