ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate

C17H19F3N2O2 — CID 57045348

IUPACethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate
SMILESCCOC(=O)C1C(C)=NN=C(CC)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N2O2/c1-4-13-15(11-8-6-7-9-12(11)17(18,19)20)14(10(3)21-22-13)16(23)24-5-2/h6-9,14-15H,4-5H2,1-3H3
InChIKeyJPNDRRJLPGGLCG-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.21
Rot. Bonds4

About ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate

ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate (PubChem CID 57045348) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate
PubChem CID57045348
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Nameethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate
SMILESCCOC(=O)C1C(C)=NN=C(CC)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N2O2/c1-4-13-15(11-8-6-7-9-12(11)17(18,19)20)14(10(3)21-22-13)16(23)24-5-2/h6-9,14-15H,4-5H2,1-3H3
InChIKeyJPNDRRJLPGGLCG-UHFFFAOYSA-N
XLogP4.21
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-ethyl 4-(hydroxyimino)-3-phenylpentanoate
CID 5914219
Methyl 2-diazo-2-[2-[3-(trifluoromethyl)phenyl]phenyl]acetate
CID 101809646
Ethyl 4,6-bis(4-fluorophenyl)-2-iminocyclohex-3-ene-1-carboxylate
CID 123600669
ethyl (3E)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-(2,4,6-trimethylphenyl)propanoate
CID 135030966
Ethyl 2-diazo-3-(3-fluorophenyl)propanoate
CID 137316247
2,2,2-trifluoroethyl (3S)-2-diazo-4-methylidene-5-oxo-3-phenylhexanoate
CID 137316260
Methyl 2-diazo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 139254066
ethyl (6E)-2,2-difluoro-6-hydroxyimino-6-phenylhexanoate
CID 162415233
[(3E)-2,2-dimethyl-3-(3-phenylpropoxyimino)butyl] 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
CID 164678656
ethyl 3-(N-acetyl-C-phenylcarbonimidoyl)-2,2-difluoro-4-methylpentanoate
CID 177849952
Ethyl 2-diazo-3-[4-(trifluoromethyl)phenyl]but-3-enoate
CID 177851048
Methyl 2-diazo-6-phenylhexanoate
CID 57864517

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate?
The IUPAC name of ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate (CID 57045348) is ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate?
The canonical SMILES for ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate is CCOC(=O)C1C(C)=NN=C(CC)C1c1ccccc1C(F)(F)F.
What is the InChIKey of ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate?
The InChIKey is JPNDRRJLPGGLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-4-13-15(11-8-6-7-9-12(11)17(18,19)20)14(10(3)21-22-13)16(23)24-5-2/h6-9,14-15H,4-5H2,1-3H3.
What are the key properties of ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate?
ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate has a molecular weight of 340.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate is sourced from PubChem (CID 57045348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).