3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one

C23H17ClN6O2 — CID 67993189

IUPAC3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one
SMILESCOc1cc(-n2cccn2)ccc1-n1ccc(=O)c(-c2ccnn2-c2cccc(Cl)c2)n1
InChIInChI=1S/C23H17ClN6O2/c1-32-22-15-17(28-12-3-10-25-28)6-7-19(22)29-13-9-21(31)23(27-29)20-8-11-26-30(20)18-5-2-4-16(24)14-18/h2-15H,1H3
InChIKeyYTLZIUAJKODIJT-UHFFFAOYSA-N
MW444.88 g/mol
LogP3.93
Rot. Bonds5

About 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one

3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one (PubChem CID 67993189) has the molecular formula C23H17ClN6O2 and a molecular weight of 444.88 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one
PubChem CID67993189
Molecular FormulaC23H17ClN6O2
Molecular Weight444.88 g/mol
Exact Mass444.11
IUPAC Name3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one
SMILESCOc1cc(-n2cccn2)ccc1-n1ccc(=O)c(-c2ccnn2-c2cccc(Cl)c2)n1
InChIInChI=1S/C23H17ClN6O2/c1-32-22-15-17(28-12-3-10-25-28)6-7-19(22)29-13-9-21(31)23(27-29)20-8-11-26-30(20)18-5-2-4-16(24)14-18/h2-15H,1H3
InChIKeyYTLZIUAJKODIJT-UHFFFAOYSA-N
XLogP3.93
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 67993292
1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one
CID 46872143
3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one
CID 129234806
3-[2-(4-fluorophenyl)pyrazol-3-yl]-1-(3-hydroxyphenyl)pyridazin-4-one
CID 59370102
1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 58072229
3-[2-(3-aminophenyl)pyrazol-3-yl]-1-(3-fluorophenyl)pyridazin-4-one
CID 70226809
3-[2-(2-fluorophenyl)pyrazol-3-yl]-5-methoxy-1-(2-phosphanyl-4-pyrazol-1-ylphenyl)pyridazin-4-one
CID 144537128
3-[2-(3-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 66710696
4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide
CID 59369961
3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
CID 141272838
3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
CID 46873618
3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 46219819

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one?
The IUPAC name of 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one (CID 67993189) is 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one?
The canonical SMILES for 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one is COc1cc(-n2cccn2)ccc1-n1ccc(=O)c(-c2ccnn2-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one?
The InChIKey is YTLZIUAJKODIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O2/c1-32-22-15-17(28-12-3-10-25-28)6-7-19(22)29-13-9-21(31)23(27-29)20-8-11-26-30(20)18-5-2-4-16(24)14-18/h2-15H,1H3.
What are the key properties of 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one?
3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one has a molecular weight of 444.88 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one is sourced from PubChem (CID 67993189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).