3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one

C20H13FN4O2 — CID 1479687

IUPAC3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one
SMILESO=C(c1ccc(F)cc1)n1ccc(-c2nn(-c3ccccc3)ccc2=O)n1
InChIInChI=1S/C20H13FN4O2/c21-15-8-6-14(7-9-15)20(27)25-12-10-17(22-25)19-18(26)11-13-24(23-19)16-4-2-1-3-5-16/h1-13H
InChIKeyXPLQFJCZKJUXRZ-UHFFFAOYSA-N
MW360.35 g/mol
LogP2.92
Rot. Bonds3

About 3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one

3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one (PubChem CID 1479687) has the molecular formula C20H13FN4O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is 3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one.

Molecular Properties

Compound Name3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one
PubChem CID1479687
Molecular FormulaC20H13FN4O2
Molecular Weight360.35 g/mol
Exact Mass360.10
IUPAC Name3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one
SMILESO=C(c1ccc(F)cc1)n1ccc(-c2nn(-c3ccccc3)ccc2=O)n1
InChIInChI=1S/C20H13FN4O2/c21-15-8-6-14(7-9-15)20(27)25-12-10-17(22-25)19-18(26)11-13-24(23-19)16-4-2-1-3-5-16/h1-13H
InChIKeyXPLQFJCZKJUXRZ-UHFFFAOYSA-N
XLogP2.92
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole
CID 680939
3-(1-Phenyl-1h-Pyrazol-5-Yl)-1-[3-(Trifluoromethyl)phenyl]pyridazin-4(1h)-One
CID 46219819
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 7695693
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 4738557
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520
N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 833522
N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850362

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one?
The IUPAC name of 3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one (CID 1479687) is 3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one.
What is the SMILES notation for 3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one?
The canonical SMILES for 3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one is O=C(c1ccc(F)cc1)n1ccc(-c2nn(-c3ccccc3)ccc2=O)n1.
What is the InChIKey of 3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one?
The InChIKey is XPLQFJCZKJUXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O2/c21-15-8-6-14(7-9-15)20(27)25-12-10-17(22-25)19-18(26)11-13-24(23-19)16-4-2-1-3-5-16/h1-13H.
What are the key properties of 3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one?
3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one has a molecular weight of 360.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorobenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one is sourced from PubChem (CID 1479687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).