(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

C18H15FN2O3 — CID 4005861

IUPAC(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C18H15FN2O3/c19-14-8-6-13(7-9-14)12-24-18(23)16-10-11-17(22)21(20-16)15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKeyGTGLJFYTWXDXPW-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.05
Rot. Bonds4

About (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (PubChem CID 4005861) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
PubChem CID4005861
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESO=C(OCc1ccc(F)cc1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C18H15FN2O3/c19-14-8-6-13(7-9-14)12-24-18(23)16-10-11-17(22)21(20-16)15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKeyGTGLJFYTWXDXPW-UHFFFAOYSA-N
XLogP3.05
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-fluorobenzenecarboxylate
CID 1472463
5-methyl-2-[3-(phenylmethoxymethyl)phenyl]-4H-pyrazol-3-one
CID 127037767
6-(benzyloxy)-2-phenylpyridazin-3(2H)-one
CID 751723
[3-(Dimethylsulfamoyl)phenyl]methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 4876469
2-Fluorobenzyl 3-(3-hydroxy-2-quinoxalinyl)propanoate
CID 2966148
3-Fluorobenzyl 3-(3-hydroxy-2-quinoxalinyl)propanoate
CID 2969213
(4-fluorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 3977304
Ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate
CID 7386802
5-Benzyloxymethyl-2-(4-trifluoromethylphenyl)-2,4-dihydropyrazol-3-one
CID 69008310
benzyl 3-ethyl-1-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-4-carboxylate
CID 148673010
Methyl 1-(2-fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylate
CID 169656874
1-(2-Fluorophenyl)-6-oxo-4-phenylmethoxypyridazine-3-carboxylic acid
CID 169657503

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (CID 4005861) is (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is O=C(OCc1ccc(F)cc1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is GTGLJFYTWXDXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-14-8-6-13(7-9-14)12-24-18(23)16-10-11-17(22)21(20-16)15-4-2-1-3-5-15/h1-9H,10-12H2.
What are the key properties of (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
(4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 326.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 4005861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).