1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C21H20N4O — CID 7243818

IUPAC1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c1
InChIInChI=1S/C21H20N4O/c1-14-6-4-8-17(10-14)12-24-13-22-20-18(21(24)26)11-23-25(20)19-9-5-7-15(2)16(19)3/h4-11,13H,12H2,1-3H3
InChIKeyVPLZAAITOUQBOG-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.56
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7243818) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7243818
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c1
InChIInChI=1S/C21H20N4O/c1-14-6-4-8-17(10-14)12-24-13-22-20-18(21(24)26)11-23-25(20)19-9-5-7-15(2)16(19)3/h4-11,13H,12H2,1-3H3
InChIKeyVPLZAAITOUQBOG-UHFFFAOYSA-N
XLogP3.56
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7532859
1-(2-methylphenyl)-5-[(3-nitrophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243663
N,N-dimethyl-3-[[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]benzenesulfonamide
CID 78793622
5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243915
1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243659
2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7243804
N-cyclopentyl-2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7243801
2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 7243790
1-(3-chlorophenyl)-5-[(3-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243768
5-[(7-methyl-2-oxochromen-4-yl)methyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 78793445
2,2-dimethyl-N-[2-[5-[(3-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide
CID 42391944
1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 20888514

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 7243818) is 1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1cccc(Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VPLZAAITOUQBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-6-4-8-17(10-14)12-24-13-22-20-18(21(24)26)11-23-25(20)19-9-5-7-15(2)16(19)3/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 344.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7243818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).