methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate

C18H18N2O2 — CID 132918901

IUPACmethyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate
SMILESCOC(=O)C1CCC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-22-18(21)17-13-12-16(14-8-4-2-5-9-14)19-20(17)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3
InChIKeyAGXVXFXWNWHOPZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.23
Rot. Bonds3

About methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate

methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate (PubChem CID 132918901) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate
PubChem CID132918901
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Namemethyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate
SMILESCOC(=O)C1CCC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-22-18(21)17-13-12-16(14-8-4-2-5-9-14)19-20(17)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3
InChIKeyAGXVXFXWNWHOPZ-UHFFFAOYSA-N
XLogP3.23
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
CID 40525014
(3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 40541008
2,5-diphenyl-3,4-dihydropyrazole-3-carboxamide
CID 175059714
dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate
CID 7071906
5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 101435165
methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 11492698
methyl (4S)-2,5-diphenyl-3,4-dihydropyrazole-4-carboxylate
CID 124530326
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole
CID 13152575
methyl 6-methyl-2-[(4-phenylphenyl)methylsulfonyl]-4,5-dihydro-3H-pyridazine-3-carboxylate
CID 139888423
methyl 5-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-3-carboxylate
CID 175820656
methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568091

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate?
The IUPAC name of methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate (CID 132918901) is methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate.
What is the SMILES notation for methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate?
The canonical SMILES for methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate is COC(=O)C1CCC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate?
The InChIKey is AGXVXFXWNWHOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-18(21)17-13-12-16(14-8-4-2-5-9-14)19-20(17)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3.
What are the key properties of methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate?
methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate is sourced from PubChem (CID 132918901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).