3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one

C18H16N4O — CID 136705112

IUPAC3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
SMILESCc1nn(-c2ccccc2)c2c1CN(c1ccccc1)C(=O)N2
InChIInChI=1S/C18H16N4O/c1-13-16-12-21(14-8-4-2-5-9-14)18(23)19-17(16)22(20-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,19,23)
InChIKeyWKROUZAROWKHFS-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.73
Rot. Bonds2

About 3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one

3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one (PubChem CID 136705112) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
PubChem CID136705112
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
SMILESCc1nn(-c2ccccc2)c2c1CN(c1ccccc1)C(=O)N2
InChIInChI=1S/C18H16N4O/c1-13-16-12-21(14-8-4-2-5-9-14)18(23)19-17(16)22(20-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,19,23)
InChIKeyWKROUZAROWKHFS-UHFFFAOYSA-N
XLogP3.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 155424536
3-methyl-4-[4-(methylamino)phenyl]-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 175774192
potassium;hydride;1-phenylimidazolidine-2,4-dione
CID 173461566
3-methyl-4-[4-(3-methyl-5-oxo-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-4-yl)phenyl]-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135765340
(4S)-4-(4-methoxyphenyl)-3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
CID 2088681
(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482
4-(2-chlorophenyl)-3-methyl-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135823564
4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135658174
3-methyl-1-phenylspiro[8H-pyrazolo[5,4-e][1,4]thiazepine-4,1'-cyclohexane]-7-one
CID 154724621
6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one
CID 11715311
3-methyl-1-phenyl-4-thiophen-3-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135889033
4-(2-fluorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 137207598

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one?
The IUPAC name of 3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one (CID 136705112) is 3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one.
What is the SMILES notation for 3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one?
The canonical SMILES for 3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one is Cc1nn(-c2ccccc2)c2c1CN(c1ccccc1)C(=O)N2.
What is the InChIKey of 3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one?
The InChIKey is WKROUZAROWKHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-16-12-21(14-8-4-2-5-9-14)18(23)19-17(16)22(20-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,19,23).
What are the key properties of 3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one?
3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one has a molecular weight of 304.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one is sourced from PubChem (CID 136705112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).