2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H19N3O2 — CID 879313

IUPAC2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(Cc2[nH]n3c(=O)cc(C)nc3c2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-12-19(25)24-21(22-14)20(16-6-4-3-5-7-16)18(23-24)13-15-8-10-17(26-2)11-9-15/h3-12,23H,13H2,1-2H3
InChIKeyWHXZLIRKKITWGQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.60
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 879313) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID879313
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(Cc2[nH]n3c(=O)cc(C)nc3c2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-12-19(25)24-21(22-14)20(16-6-4-3-5-7-16)18(23-24)13-15-8-10-17(26-2)11-9-15/h3-12,23H,13H2,1-2H3
InChIKeyWHXZLIRKKITWGQ-UHFFFAOYSA-N
XLogP3.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 879313) is 2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(Cc2[nH]n3c(=O)cc(C)nc3c2-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WHXZLIRKKITWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-12-19(25)24-21(22-14)20(16-6-4-3-5-7-16)18(23-24)13-15-8-10-17(26-2)11-9-15/h3-12,23H,13H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 345.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 879313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).