1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one

C15H15ClN4O — CID 16846230

IUPAC1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1nn(C(C)C)c(=O)c2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4O/c1-9(2)19-15(21)14-13(10(3)18-19)8-17-20(14)12-6-4-5-11(16)7-12/h4-9H,1-3H3
InChIKeyOEJUJEWTCSRHBN-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.12
Rot. Bonds2

About 1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one

1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16846230) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID16846230
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1nn(C(C)C)c(=O)c2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4O/c1-9(2)19-15(21)14-13(10(3)18-19)8-17-20(14)12-6-4-5-11(16)7-12/h4-9H,1-3H3
InChIKeyOEJUJEWTCSRHBN-UHFFFAOYSA-N
XLogP3.12
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-butan-2-yl-1-(3-chlorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846232
1-(3-chlorophenyl)-4-methyl-6-(3-methylbutyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846233
6-benzyl-1-(3-chlorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846308
1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846366
1-(3-chlorophenyl)-6-(2-ethoxyethyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846239
1-(3-chlorophenyl)-6-[(2,5-dimethylphenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846315
1-(3-chlorophenyl)-4-methyl-6-[(4-nitrophenyl)methyl]pyrazolo[4,5-d]pyridazin-7-one
CID 16846313
6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846168
N-(3-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846903
6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846087
4-methyl-6-[(3-methylphenyl)methyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846174
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide
CID 30607501

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one (CID 16846230) is 1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one is Cc1nn(C(C)C)c(=O)c2c1cnn2-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is OEJUJEWTCSRHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-9(2)19-15(21)14-13(10(3)18-19)8-17-20(14)12-6-4-5-11(16)7-12/h4-9H,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one?
1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 302.77 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16846230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).