(2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

C19H18F3N3O4 — CID 8958130

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)OCC(=O)N2CCCC2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3N3O4/c1-12-10-15(26)17(18(28)29-11-16(27)24-8-4-5-9-24)23-25(12)14-7-3-2-6-13(14)19(20,21)22/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeyVGDJBSGPLTYMFG-UHFFFAOYSA-N
MW409.36 g/mol
LogP2.34
Rot. Bonds4

About (2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate (PubChem CID 8958130) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
PubChem CID8958130
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)OCC(=O)N2CCCC2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F3N3O4/c1-12-10-15(26)17(18(28)29-11-16(27)24-8-4-5-9-24)23-25(12)14-7-3-2-6-13(14)19(20,21)22/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeyVGDJBSGPLTYMFG-UHFFFAOYSA-N
XLogP2.34
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylphenyl)methyl 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 8958161
(4-cyanophenyl)methyl 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 8958119
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 119483274
N-(2-aminoethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119382037
3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 24539861
N-[2-(cyclohexanecarbonylamino)ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55805670
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 8958180
6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 55394148
6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
N-cyclohexyl-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 51210732
6-methyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 154837070
N-(2-hydroxypropyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78855377

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate (CID 8958130) is (2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate is Cc1cc(=O)c(C(=O)OCC(=O)N2CCCC2)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The InChIKey is VGDJBSGPLTYMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c1-12-10-15(26)17(18(28)29-11-16(27)24-8-4-5-9-24)23-25(12)14-7-3-2-6-13(14)19(20,21)22/h2-3,6-7,10H,4-5,8-9,11H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate has a molecular weight of 409.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate is sourced from PubChem (CID 8958130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).