3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one

C19H16N4O2 — CID 101073862

IUPAC3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3cnn(C)c(=O)c23)cc1
InChIInChI=1S/C19H16N4O2/c1-22-19(24)17-16(12-20-22)23(14-6-4-3-5-7-14)21-18(17)13-8-10-15(25-2)11-9-13/h3-12H,1-2H3
InChIKeyOLEJMMLFAZVXIR-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.79
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one

3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one (PubChem CID 101073862) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one
PubChem CID101073862
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3cnn(C)c(=O)c23)cc1
InChIInChI=1S/C19H16N4O2/c1-22-19(24)17-16(12-20-22)23(14-6-4-3-5-7-14)21-18(17)13-8-10-15(25-2)11-9-13/h3-12H,1-2H3
InChIKeyOLEJMMLFAZVXIR-UHFFFAOYSA-N
XLogP2.79
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
CID 19700943
4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 172991391
3-(4-chlorophenyl)-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one
CID 13381148
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one
CID 101148539
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
3-(4-fluorophenyl)-5-(4-methoxyphenyl)-11-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66507408
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 71377669
3-(4-methoxyphenyl)-1-phenylpyrazolo[4,3-c][1,6]naphthyridine
CID 97032775
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one (CID 101073862) is 3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one is COc1ccc(-c2nn(-c3ccccc3)c3cnn(C)c(=O)c23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one?
The InChIKey is OLEJMMLFAZVXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-22-19(24)17-16(12-20-22)23(14-6-4-3-5-7-14)21-18(17)13-8-10-15(25-2)11-9-13/h3-12H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one?
3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one has a molecular weight of 332.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 101073862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).