(4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

C17H15ClN2O — CID 1484237

IUPAC(4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C17H15ClN2O/c18-15-10-8-14(9-11-15)17(21)20-12-4-7-16(19-20)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2
InChIKeyKQRKOTJZLVLZJI-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.98
Rot. Bonds2

About (4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

(4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (PubChem CID 1484237) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
PubChem CID1484237
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C17H15ClN2O/c18-15-10-8-14(9-11-15)17(21)20-12-4-7-16(19-20)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2
InChIKeyKQRKOTJZLVLZJI-UHFFFAOYSA-N
XLogP3.98
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (CID 1484237) is (4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCCC(c2ccccc2)=N1.
What is the InChIKey of (4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The InChIKey is KQRKOTJZLVLZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-15-10-8-14(9-11-15)17(21)20-12-4-7-16(19-20)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2.
What are the key properties of (4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
(4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone has a molecular weight of 298.77 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is sourced from PubChem (CID 1484237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).