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

C16H18N4O2 — CID 7422907

IUPAC5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C)c(Cn2cnc3c(cnn3CCO)c2=O)c1
InChIInChI=1S/C16H18N4O2/c1-11-3-4-12(2)13(7-11)9-19-10-17-15-14(16(19)22)8-18-20(15)5-6-21/h3-4,7-8,10,21H,5-6,9H2,1-2H3
InChIKeyXVHVGKSCSZEOAQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.25
Rot. Bonds4

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

5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7422907) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7422907
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C)c(Cn2cnc3c(cnn3CCO)c2=O)c1
InChIInChI=1S/C16H18N4O2/c1-11-3-4-12(2)13(7-11)9-19-10-17-15-14(16(19)22)8-18-20(15)5-6-21/h3-4,7-8,10,21H,5-6,9H2,1-2H3
InChIKeyXVHVGKSCSZEOAQ-UHFFFAOYSA-N
XLogP1.25
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[4-Hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 145961432
1-(tert-butyl)-5-(2,5-dimethylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 3235584
1-tert-butyl-5-(2-methylbenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3240102
1-tert-butyl-5-(4-methylbenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 16193577
5-benzyl-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 7118736
5-[(2,5-Dimethylphenyl)methyl]-1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 7518958
Cambridge id 6984652
CID 2047328
2-[4-[(1-Tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]phenyl]benzonitrile
CID 46947869
5-[(3-Chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 7422947
6-[(4-methylphenyl)methylamino]-1-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136969960
US11104680, Example 13
CID 153471530
1-tert-butyl-5-{[3-(trifluoromethyl)phenyl]methyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 6623278

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7422907) is 5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(C)c(Cn2cnc3c(cnn3CCO)c2=O)c1.
What is the InChIKey of 5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XVHVGKSCSZEOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-3-4-12(2)13(7-11)9-19-10-17-15-14(16(19)22)8-18-20(15)5-6-21/h3-4,7-8,10,21H,5-6,9H2,1-2H3.
What are the key properties of 5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 298.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7422907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).