1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide

C19H12F4N4O3 — CID 2745064

IUPAC1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12F4N4O3/c20-13-5-7-14(8-6-13)27-10-9-15(28)16(26-27)18(30)25-24-17(29)11-1-3-12(4-2-11)19(21,22)23/h1-10H,(H,24,29)(H,25,30)
InChIKeyFTZLTFCVJQFJJC-UHFFFAOYSA-N
MW420.32 g/mol
LogP2.47
Rot. Bonds3

About 1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide

1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide (PubChem CID 2745064) has the molecular formula C19H12F4N4O3 and a molecular weight of 420.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide
PubChem CID2745064
Molecular FormulaC19H12F4N4O3
Molecular Weight420.32 g/mol
Exact Mass420.08
IUPAC Name1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12F4N4O3/c20-13-5-7-14(8-6-13)27-10-9-15(28)16(26-27)18(30)25-24-17(29)11-1-3-12(4-2-11)19(21,22)23/h1-10H,(H,24,29)(H,25,30)
InChIKeyFTZLTFCVJQFJJC-UHFFFAOYSA-N
XLogP2.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide?
The IUPAC name of 1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide (CID 2745064) is 1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide?
The canonical SMILES for 1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide is O=C(NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide?
The InChIKey is FTZLTFCVJQFJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O3/c20-13-5-7-14(8-6-13)27-10-9-15(28)16(26-27)18(30)25-24-17(29)11-1-3-12(4-2-11)19(21,22)23/h1-10H,(H,24,29)(H,25,30).
What are the key properties of 1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide?
1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide has a molecular weight of 420.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-oxo-N'-[4-(trifluoromethyl)benzoyl]pyridazine-3-carbohydrazide is sourced from PubChem (CID 2745064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).