6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one

C21H20N4O — CID 16846719

IUPAC6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1ccc(-n2ncc3c(C)nn(Cc4ccccc4)c(=O)c32)c(C)c1
InChIInChI=1S/C21H20N4O/c1-14-9-10-19(15(2)11-14)25-20-18(12-22-25)16(3)23-24(21(20)26)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3
InChIKeyJUYSSLANRIXFEH-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.56
Rot. Bonds3

About 6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one

6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16846719) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID16846719
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1ccc(-n2ncc3c(C)nn(Cc4ccccc4)c(=O)c32)c(C)c1
InChIInChI=1S/C21H20N4O/c1-14-9-10-19(15(2)11-14)25-20-18(12-22-25)16(3)23-24(21(20)26)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3
InChIKeyJUYSSLANRIXFEH-UHFFFAOYSA-N
XLogP3.56
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846168
4-methyl-6-[(3-methylphenyl)methyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846174
6-benzyl-1-(3-chlorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846308
2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide
CID 16846665
2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-fluorophenyl)acetamide
CID 16846672
2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
CID 16846748
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846658
1-(3-chlorophenyl)-6-[(2,5-dimethylphenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846315
6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846087
6-[(4-bromophenyl)methyl]-1-(3,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846911
1-(3,4-dimethylphenyl)-6-[(4-fluorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846861
1-(3,4-dimethylphenyl)-6-[(3-fluorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846860

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one (CID 16846719) is 6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one is Cc1ccc(-n2ncc3c(C)nn(Cc4ccccc4)c(=O)c32)c(C)c1.
What is the InChIKey of 6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is JUYSSLANRIXFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-9-10-19(15(2)11-14)25-20-18(12-22-25)16(3)23-24(21(20)26)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3.
What are the key properties of 6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one?
6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 344.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16846719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).