6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H21N3O2 — CID 2208092

IUPAC6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)c(Cc4ccccc4)c(C)nc23)cc1
InChIInChI=1S/C22H21N3O2/c1-14-19(13-16-7-5-4-6-8-16)22(26)25-21(23-14)20(15(2)24-25)17-9-11-18(27-3)12-10-17/h4-12,24H,13H2,1-3H3
InChIKeyNJQNXLIZJJJKQY-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.91
Rot. Bonds4

About 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2208092) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2208092
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)c(Cc4ccccc4)c(C)nc23)cc1
InChIInChI=1S/C22H21N3O2/c1-14-19(13-16-7-5-4-6-8-16)22(26)25-21(23-14)20(15(2)24-25)17-9-11-18(27-3)12-10-17/h4-12,24H,13H2,1-3H3
InChIKeyNJQNXLIZJJJKQY-UHFFFAOYSA-N
XLogP3.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2208092) is 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C)[nH]n3c(=O)c(Cc4ccccc4)c(C)nc23)cc1.
What is the InChIKey of 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NJQNXLIZJJJKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-19(13-16-7-5-4-6-8-16)22(26)25-21(23-14)20(15(2)24-25)17-9-11-18(27-3)12-10-17/h4-12,24H,13H2,1-3H3.
What are the key properties of 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 359.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2208092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).