2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one

C18H14N4O2 — CID 6409092

IUPAC2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one
SMILESCOc1ccc(-n2cc3c(=O)[nH]nc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-14-9-7-13(8-10-14)22-11-15-17(21-22)16(19-20-18(15)23)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,23)
InChIKeyPXRMHGJCYGDXJO-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.78
Rot. Bonds3

About 2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one

2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one (PubChem CID 6409092) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one
PubChem CID6409092
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one
SMILESCOc1ccc(-n2cc3c(=O)[nH]nc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-14-9-7-13(8-10-14)22-11-15-17(21-22)16(19-20-18(15)23)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,23)
InChIKeyPXRMHGJCYGDXJO-UHFFFAOYSA-N
XLogP2.78
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-Dihydro-2-(4-methoxyphenyl)-3H-pyrazolo(4,3-c)quinolin-3-one
CID 100812
3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 11601759
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one
CID 13713251
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
N'-(2-methoxyphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carbohydrazide
CID 2812503
[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one (CID 6409092) is 2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one is COc1ccc(-n2cc3c(=O)[nH]nc(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one?
The InChIKey is PXRMHGJCYGDXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-24-14-9-7-13(8-10-14)22-11-15-17(21-22)16(19-20-18(15)23)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,23).
What are the key properties of 2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one?
2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one has a molecular weight of 318.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 6409092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).