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

C21H19N3O2 — CID 17168369

IUPAC3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccccc4C)nc23)cc1
InChIInChI=1S/C21H19N3O2/c1-13-6-4-5-7-17(13)18-12-19(25)24-21(22-18)20(14(2)23-24)15-8-10-16(26-3)11-9-15/h4-12,23H,1-3H3
InChIKeyQZAKTOPEAHIKKF-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.98
Rot. Bonds3

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

3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 17168369) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID17168369
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccccc4C)nc23)cc1
InChIInChI=1S/C21H19N3O2/c1-13-6-4-5-7-17(13)18-12-19(25)24-21(22-18)20(14(2)23-24)15-8-10-16(26-3)11-9-15/h4-12,23H,1-3H3
InChIKeyQZAKTOPEAHIKKF-UHFFFAOYSA-N
XLogP3.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 17168369) is 3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccccc4C)nc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QZAKTOPEAHIKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13-6-4-5-7-17(13)18-12-19(25)24-21(22-18)20(14(2)23-24)15-8-10-16(26-3)11-9-15/h4-12,23H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 345.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 17168369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).