3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one

C23H19N5O4 — CID 67993292

IUPAC3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(N2CCOC2=O)ccc1-n1ccc(=O)c(-c2ccnn2-c2ccccc2)n1
InChIInChI=1S/C23H19N5O4/c1-31-21-15-17(26-13-14-32-23(26)30)7-8-18(21)27-12-10-20(29)22(25-27)19-9-11-24-28(19)16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3
InChIKeyHAXZEHPEXLKFBF-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.05
Rot. Bonds5

About 3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one

3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 67993292) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID67993292
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(N2CCOC2=O)ccc1-n1ccc(=O)c(-c2ccnn2-c2ccccc2)n1
InChIInChI=1S/C23H19N5O4/c1-31-21-15-17(26-13-14-32-23(26)30)7-8-18(21)27-12-10-20(29)22(25-27)19-9-11-24-28(19)16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3
InChIKeyHAXZEHPEXLKFBF-UHFFFAOYSA-N
XLogP3.05
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-fluoro-4-[3-(5-methyl-2-phenylpyrazol-3-yl)-4-oxopyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 58577547
3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazin-4-one
CID 67993189
1-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-methylphenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 58577343
1-(2-methylphenyl)-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 58072229
3-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]-1-phenylpyridazin-4-one
CID 46219190
1-[2-methyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 58577770
1-[2-(difluoromethoxy)-4-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 88556016
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 58072352
3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 46219819
[2-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]methanesulfinate
CID 174729751
1-[4-(3,4-difluoropyrrol-1-yl)-2-(fluoromethoxy)phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 71275832
1-[4-[1-(difluoromethyl)pyrazol-4-yl]-2-methoxyphenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one
CID 67993550

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one (CID 67993292) is 3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one is COc1cc(N2CCOC2=O)ccc1-n1ccc(=O)c(-c2ccnn2-c2ccccc2)n1.
What is the InChIKey of 3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is HAXZEHPEXLKFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-31-21-15-17(26-13-14-32-23(26)30)7-8-18(21)27-12-10-20(29)22(25-27)19-9-11-24-28(19)16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3.
What are the key properties of 3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 429.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67993292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).