6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one

C19H16N4O — CID 16846168

IUPAC6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1nn(Cc2ccccc2)c(=O)c2c1cnn2-c1ccccc1
InChIInChI=1S/C19H16N4O/c1-14-17-12-20-23(16-10-6-3-7-11-16)18(17)19(24)22(21-14)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3
InChIKeyDPKXSSHWNOSCIL-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.94
Rot. Bonds3

About 6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one

6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16846168) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID16846168
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1nn(Cc2ccccc2)c(=O)c2c1cnn2-c1ccccc1
InChIInChI=1S/C19H16N4O/c1-14-17-12-20-23(16-10-6-3-7-11-16)18(17)19(24)22(21-14)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3
InChIKeyDPKXSSHWNOSCIL-UHFFFAOYSA-N
XLogP2.94
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-1-(3-chlorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846308
4-methyl-6-[(3-methylphenyl)methyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846174
6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846087
4-methyl-1-phenyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846184
6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846719
1-(3-chlorophenyl)-4-methyl-6-[(4-nitrophenyl)methyl]pyrazolo[4,5-d]pyridazin-7-one
CID 16846313
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
1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846366
6-[(3-methylphenyl)methyl]-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16846992
6-[(4-bromophenyl)methyl]-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847026

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one (CID 16846168) is 6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one is Cc1nn(Cc2ccccc2)c(=O)c2c1cnn2-c1ccccc1.
What is the InChIKey of 6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is DPKXSSHWNOSCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-14-17-12-20-23(16-10-6-3-7-11-16)18(17)19(24)22(21-14)13-15-8-4-2-5-9-15/h2-12H,13H2,1H3.
What are the key properties of 6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 316.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16846168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).