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

C20H17N3O — CID 70925561

IUPAC3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1Cc1ccccc1
InChIInChI=1S/C20H17N3O/c1-14-17(12-15-8-4-2-5-9-15)20-21-18(13-19(24)23(20)22-14)16-10-6-3-7-11-16/h2-11,13,22H,12H2,1H3
InChIKeyFZLJMLJIHKOKIF-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.59
Rot. Bonds3

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

3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925561) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925561
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1Cc1ccccc1
InChIInChI=1S/C20H17N3O/c1-14-17(12-15-8-4-2-5-9-15)20-21-18(13-19(24)23(20)22-14)16-10-6-3-7-11-16/h2-11,13,22H,12H2,1H3
InChIKeyFZLJMLJIHKOKIF-UHFFFAOYSA-N
XLogP3.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925561) is 3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FZLJMLJIHKOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-17(12-15-8-4-2-5-9-15)20-21-18(13-19(24)23(20)22-14)16-10-6-3-7-11-16/h2-11,13,22H,12H2,1H3.
What are the key properties of 3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 315.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).