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

C19H15N3O — CID 798757

IUPAC2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1-c1ccccc1
InChIInChI=1S/C19H15N3O/c1-13-18(15-10-6-3-7-11-15)19-20-16(12-17(23)22(19)21-13)14-8-4-2-5-9-14/h2-12,21H,1H3
InChIKeyNVNVOFVATYXYPB-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.67
Rot. Bonds2

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

2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 798757) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID798757
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1-c1ccccc1
InChIInChI=1S/C19H15N3O/c1-13-18(15-10-6-3-7-11-15)19-20-16(12-17(23)22(19)21-13)14-8-4-2-5-9-14/h2-12,21H,1H3
InChIKeyNVNVOFVATYXYPB-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 2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 798757) is 2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NVNVOFVATYXYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-18(15-10-6-3-7-11-15)19-20-16(12-17(23)22(19)21-13)14-8-4-2-5-9-14/h2-12,21H,1H3.
What are the key properties of 2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-3,5-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 2-methyl-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 798757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).