1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide

C20H16F2N4O3 — CID 9091973

IUPAC1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NNC(=O)Cc2ccc(F)cc2)nn1-c1ccccc1F
InChIInChI=1S/C20H16F2N4O3/c1-12-10-17(27)19(25-26(12)16-5-3-2-4-15(16)22)20(29)24-23-18(28)11-13-6-8-14(21)9-7-13/h2-10H,11H2,1H3,(H,23,28)(H,24,29)
InChIKeyNPXPCKIPZAFUKR-UHFFFAOYSA-N
MW398.37 g/mol
LogP1.82
Rot. Bonds4

About 1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide

1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide (PubChem CID 9091973) has the molecular formula C20H16F2N4O3 and a molecular weight of 398.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
PubChem CID9091973
Molecular FormulaC20H16F2N4O3
Molecular Weight398.37 g/mol
Exact Mass398.12
IUPAC Name1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NNC(=O)Cc2ccc(F)cc2)nn1-c1ccccc1F
InChIInChI=1S/C20H16F2N4O3/c1-12-10-17(27)19(25-26(12)16-5-3-2-4-15(16)22)20(29)24-23-18(28)11-13-6-8-14(21)9-7-13/h2-10H,11H2,1H3,(H,23,28)(H,24,29)
InChIKeyNPXPCKIPZAFUKR-UHFFFAOYSA-N
XLogP1.82
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 51.82
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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Related Compounds

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088640
N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 46656815
N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 26924295
2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532263
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 9268115
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 7603195
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9291779
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 55750161

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide?
The IUPAC name of 1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide (CID 9091973) is 1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide is Cc1cc(=O)c(C(=O)NNC(=O)Cc2ccc(F)cc2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide?
The InChIKey is NPXPCKIPZAFUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3/c1-12-10-17(27)19(25-26(12)16-5-3-2-4-15(16)22)20(29)24-23-18(28)11-13-6-8-14(21)9-7-13/h2-10H,11H2,1H3,(H,23,28)(H,24,29).
What are the key properties of 1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide?
1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide has a molecular weight of 398.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 9091973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).