5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C20H24N4O — CID 112772732

IUPAC5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(CC4CCCCC4)cnc32)c1
InChIInChI=1S/C20H24N4O/c1-14-8-15(2)10-17(9-14)24-19-18(11-22-24)20(25)23(13-21-19)12-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyIBYVKCRLYFCOAK-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.78
Rot. Bonds3

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

5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 112772732) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID112772732
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(CC4CCCCC4)cnc32)c1
InChIInChI=1S/C20H24N4O/c1-14-8-15(2)10-17(9-14)24-19-18(11-22-24)20(25)23(13-21-19)12-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyIBYVKCRLYFCOAK-UHFFFAOYSA-N
XLogP3.78
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 155947667
5-[2-(azocan-1-yl)-2-oxoethyl]-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 27893711
1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 51195291
5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 71916816
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylcyclohexyl)acetamide
CID 46817587
3-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46691610
1-(3,5-dimethylphenyl)-5-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 24622763
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30693258
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(methylcarbamoyl)acetamide
CID 30694252
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 24562190
5-[(5-bromo-2-methoxyphenyl)methyl]-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 55397227
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 30692847

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 112772732) is 5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(C)cc(-n2ncc3c(=O)n(CC4CCCCC4)cnc32)c1.
What is the InChIKey of 5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IBYVKCRLYFCOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-8-15(2)10-17(9-14)24-19-18(11-22-24)20(25)23(13-21-19)12-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3.
What are the key properties of 5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 336.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 112772732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).