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

C22H21N3O — CID 867782

IUPAC2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(Cc3ccccc3)c(-c3ccccc3)c2n1
InChIInChI=1S/C22H21N3O/c1-2-9-18-15-20(26)25-22(23-18)21(17-12-7-4-8-13-17)19(24-25)14-16-10-5-3-6-11-16/h3-8,10-13,15,24H,2,9,14H2,1H3
InChIKeyBLFJXRYVVIGCFY-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.23
Rot. Bonds5

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

2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 867782) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID867782
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(Cc3ccccc3)c(-c3ccccc3)c2n1
InChIInChI=1S/C22H21N3O/c1-2-9-18-15-20(26)25-22(23-18)21(17-12-7-4-8-13-17)19(24-25)14-16-10-5-3-6-11-16/h3-8,10-13,15,24H,2,9,14H2,1H3
InChIKeyBLFJXRYVVIGCFY-UHFFFAOYSA-N
XLogP4.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 867782) is 2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(Cc3ccccc3)c(-c3ccccc3)c2n1.
What is the InChIKey of 2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BLFJXRYVVIGCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-9-18-15-20(26)25-22(23-18)21(17-12-7-4-8-13-17)19(24-25)14-16-10-5-3-6-11-16/h3-8,10-13,15,24H,2,9,14H2,1H3.
What are the key properties of 2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 343.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 867782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).