2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one

C15H16N4O2 — CID 1234251

IUPAC2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCCOc1ccc(-n2nc3c(=O)[nH]nc(C)c3c2C)cc1
InChIInChI=1S/C15H16N4O2/c1-4-21-12-7-5-11(6-8-12)19-10(3)13-9(2)16-17-15(20)14(13)18-19/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyLMFINNLLXCATRW-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.12
Rot. Bonds3

About 2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one

2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 1234251) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID1234251
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCCOc1ccc(-n2nc3c(=O)[nH]nc(C)c3c2C)cc1
InChIInChI=1S/C15H16N4O2/c1-4-21-12-7-5-11(6-8-12)19-10(3)13-9(2)16-17-15(20)14(13)18-19/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyLMFINNLLXCATRW-UHFFFAOYSA-N
XLogP2.12
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
CID 656965
Cfm-1571
CID 9844347
2-(4-ethoxyphenyl)-3,4-dimethyl-6-[2-(1-piperidinyl)ethyl]-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
CID 990460
2-(4-ethoxyphenyl)-3,4-dimethyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazine-7-thione
CID 1234242
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 2139744
5-(4-Methoxy-phenyl)-2-phenyl-2H-pyrazole-3-carboxylic acid hydrazide
CID 2387114
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-ethoxyphenyl)methyl]butanamide
CID 16022700
2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-(2-ethoxybenzyl)butanamide
CID 16022806
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(4-ethoxyphenyl)ethyl]propanamide
CID 20919720
N-[2-(4-ethoxyphenyl)ethyl]-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 16193356
4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N~1~-(4-methoxybenzyl)butanamide
CID 16022570
N-(4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 6622279

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 1234251) is 2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one is CCOc1ccc(-n2nc3c(=O)[nH]nc(C)c3c2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is LMFINNLLXCATRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-4-21-12-7-5-11(6-8-12)19-10(3)13-9(2)16-17-15(20)14(13)18-19/h5-8H,4H2,1-3H3,(H,17,20).
What are the key properties of 2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 284.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 1234251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).