1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one

C23H15BrN4O — CID 59370097

IUPAC1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2cccc(Br)c2)nc1-c1ccnn1-c1cccc2ccccc12
InChIInChI=1S/C23H15BrN4O/c24-17-7-4-8-18(15-17)27-14-12-22(29)23(26-27)21-11-13-25-28(21)20-10-3-6-16-5-1-2-9-19(16)20/h1-15H
InChIKeyLZXFMBXKUOKLEO-UHFFFAOYSA-N
MW443.30 g/mol
LogP5.00
Rot. Bonds3

About 1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one

1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one (PubChem CID 59370097) has the molecular formula C23H15BrN4O and a molecular weight of 443.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one
PubChem CID59370097
Molecular FormulaC23H15BrN4O
Molecular Weight443.30 g/mol
Exact Mass442.04
IUPAC Name1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2cccc(Br)c2)nc1-c1ccnn1-c1cccc2ccccc12
InChIInChI=1S/C23H15BrN4O/c24-17-7-4-8-18(15-17)27-14-12-22(29)23(26-27)21-11-13-25-28(21)20-10-3-6-16-5-1-2-9-19(16)20/h1-15H
InChIKeyLZXFMBXKUOKLEO-UHFFFAOYSA-N
XLogP5.00
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.30
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one (CID 59370097) is 1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one is O=c1ccn(-c2cccc(Br)c2)nc1-c1ccnn1-c1cccc2ccccc12.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is LZXFMBXKUOKLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN4O/c24-17-7-4-8-18(15-17)27-14-12-22(29)23(26-27)21-11-13-25-28(21)20-10-3-6-16-5-1-2-9-19(16)20/h1-15H.
What are the key properties of 1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one?
1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 443.30 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2-naphthalen-1-ylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 59370097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).