[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone

C19H20N2O2 — CID 10662595

IUPAC[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccc(C)cc3)CCC2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-5-7-16(8-6-14)19(22)21-13-3-4-18(20-21)15-9-11-17(23-2)12-10-15/h5-12H,3-4,13H2,1-2H3
InChIKeyMNVPJHYENOSLBK-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.64
Rot. Bonds3

About [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone

[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone (PubChem CID 10662595) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone
PubChem CID10662595
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(C2=NN(C(=O)c3ccc(C)cc3)CCC2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-5-7-16(8-6-14)19(22)21-13-3-4-18(20-21)15-9-11-17(23-2)12-10-15/h5-12H,3-4,13H2,1-2H3
InChIKeyMNVPJHYENOSLBK-UHFFFAOYSA-N
XLogP3.64
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone (CID 10662595) is [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone is COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)CCC2)cc1.
What is the InChIKey of [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone?
The InChIKey is MNVPJHYENOSLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-5-7-16(8-6-14)19(22)21-13-3-4-18(20-21)15-9-11-17(23-2)12-10-15/h5-12H,3-4,13H2,1-2H3.
What are the key properties of [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone?
[6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone has a molecular weight of 308.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 10662595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).