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

C22H21N3O2 — CID 1291628

IUPAC6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1-c1c(C)[nH]n2c(=O)c(Cc3ccccc3)c(C)nc12
InChIInChI=1S/C22H21N3O2/c1-14-18(13-16-9-5-4-6-10-16)22(26)25-21(23-14)20(15(2)24-25)17-11-7-8-12-19(17)27-3/h4-12,24H,13H2,1-3H3
InChIKeyXDYDMSRASRFQED-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.91
Rot. Bonds4

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

6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1291628) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1291628
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1-c1c(C)[nH]n2c(=O)c(Cc3ccccc3)c(C)nc12
InChIInChI=1S/C22H21N3O2/c1-14-18(13-16-9-5-4-6-10-16)22(26)25-21(23-14)20(15(2)24-25)17-11-7-8-12-19(17)27-3/h4-12,24H,13H2,1-3H3
InChIKeyXDYDMSRASRFQED-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-(2-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

Related Compounds

5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 971409
2-(3-Methoxyphenyl)-5-phenylpyrazolo[1,5-A]pyrimidin-7-OL
CID 2818874
Ethyl [7-hydroxy-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]acetate
CID 3160182
2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879313
6-benzyl-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667143
2-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol
CID 807711
6-chloro-2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1370213
6-benzyl-5-methyl-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1851938
5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 3156107
3-(3-methoxyphenyl)-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 15484989
6-butyl-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457434
6-benzyl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 137654038

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1291628) is 6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccccc1-c1c(C)[nH]n2c(=O)c(Cc3ccccc3)c(C)nc12.
What is the InChIKey of 6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XDYDMSRASRFQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-18(13-16-9-5-4-6-10-16)22(26)25-21(23-14)20(15(2)24-25)17-11-7-8-12-19(17)27-3/h4-12,24H,13H2,1-3H3.
What are the key properties of 6-benzyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-benzyl-3-(2-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-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1291628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).