3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C11H8N4O — CID 135741827

IUPAC3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2c(-c3ccccc3)n[nH]c12
InChIInChI=1S/C11H8N4O/c16-11-10-9(12-6-13-11)8(14-15-10)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,12,13,16)
InChIKeyGLLZFADCRQQBOU-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.31
Rot. Bonds1

About 3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135741827) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135741827
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2c(-c3ccccc3)n[nH]c12
InChIInChI=1S/C11H8N4O/c16-11-10-9(12-6-13-11)8(14-15-10)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,12,13,16)
InChIKeyGLLZFADCRQQBOU-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

N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135992006
5-(3-Chlorobenzyl)-3-isopropyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135418212
1-Ethyl-3-methyl-5-phenyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626436
5-Methyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 137157959
5-methyl-3-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 137157994
5-methyl-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 137157995
1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832627
6-Ethyl-3-methyl-4-phenyl-pyrazolo[3,4-d]pyridazin-7(6h)-one
CID 135412716
5-phenyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 136056127
3-(4-Chlorophenyl)-5-methyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 137226430
6-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 145982833

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135741827) is 3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is O=c1[nH]cnc2c(-c3ccccc3)n[nH]c12.
What is the InChIKey of 3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is GLLZFADCRQQBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-10-9(12-6-13-11)8(14-15-10)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,12,13,16).
What are the key properties of 3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
3-phenyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-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-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135741827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).