1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one

C15H13FN4O — CID 16846376

IUPAC1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one
SMILESC=CCn1nc(C)c2cnn(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C15H13FN4O/c1-3-8-19-15(21)14-13(10(2)18-19)9-17-20(14)12-6-4-11(16)5-7-12/h3-7,9H,1,8H2,2H3
InChIKeyRPYAVDSQDXYIJN-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.22
Rot. Bonds3

About 1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one

1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16846376) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID16846376
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one
SMILESC=CCn1nc(C)c2cnn(-c3ccc(F)cc3)c2c1=O
InChIInChI=1S/C15H13FN4O/c1-3-8-19-15(21)14-13(10(2)18-19)9-17-20(14)12-6-4-11(16)5-7-12/h3-7,9H,1,8H2,2H3
InChIKeyRPYAVDSQDXYIJN-UHFFFAOYSA-N
XLogP2.22
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-4-methyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846457
1-(3,4-dimethylphenyl)-6-[(4-fluorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846861
1-(4-fluorophenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846469
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846397
benzyl 2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetate
CID 16846465
6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846087
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
CID 16846814
2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16846430
N-[(2-chlorophenyl)methyl]-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846489
6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846385
6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846168
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 1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one (CID 16846376) is 1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one is C=CCn1nc(C)c2cnn(-c3ccc(F)cc3)c2c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is RPYAVDSQDXYIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-3-8-19-15(21)14-13(10(2)18-19)9-17-20(14)12-6-4-11(16)5-7-12/h3-7,9H,1,8H2,2H3.
What are the key properties of 1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one?
1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 284.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-6-prop-2-enylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16846376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).