3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C11H8N4O — CID 135992006

IUPAC3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C11H8N4O/c16-11-8-9(7-4-2-1-3-5-7)14-15-10(8)12-6-13-11/h1-6H,(H2,12,13,14,15,16)
InChIKeyKCPLJPHQKPGNHT-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.31
Rot. Bonds1

About 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135992006) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135992006
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2n[nH]c(-c3ccccc3)c12
InChIInChI=1S/C11H8N4O/c16-11-8-9(7-4-2-1-3-5-7)14-15-10(8)12-6-13-11/h1-6H,(H2,12,13,14,15,16)
InChIKeyKCPLJPHQKPGNHT-UHFFFAOYSA-N
XLogP1.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-Amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137174610
6-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 145982833
6-(4-Amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168279143
3-Amino-1,5-dihydro-6-phenyl-4H-pyrazolo[4,3-c]pyridin-4-one
CID 136099224
3-amino-1,6-dimethyl-7-phenyl-5H-pyrazolo[4,5-c]pyridin-4-one
CID 136099295
3-Phenyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135741827
N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 136264132
3-amino-N-(5-oxo-3-phenyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 139236327
4-Carboxamido-3-phenylpyrazol-5-yl-thiourea
CID 13166440
3-amino-5-phenyl-1H-pyrazole-4-carboxamide
CID 14775202
3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide
CID 3592853
2,3-dimethyl-6-(5-phenyl-1H-pyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72874252

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 135992006) is 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2n[nH]c(-c3ccccc3)c12.
What is the InChIKey of 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is KCPLJPHQKPGNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-8-9(7-4-2-1-3-5-7)14-15-10(8)12-6-13-11/h1-6H,(H2,12,13,14,15,16).
What are the key properties of 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 212.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135992006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).