N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide

C19H19FN6O3 — CID 9088640

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)n1
InChIInChI=1S/C19H19FN6O3/c1-11-8-12(2)25(23-11)10-17(28)21-22-19(29)18-16(27)9-13(3)26(24-18)15-7-5-4-6-14(15)20/h4-9H,10H2,1-3H3,(H,21,28)(H,22,29)
InChIKeyZPKZSEIFKAOZNJ-UHFFFAOYSA-N
MW398.40 g/mol
LogP0.95
Rot. Bonds4

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide (PubChem CID 9088640) has the molecular formula C19H19FN6O3 and a molecular weight of 398.40 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
PubChem CID9088640
Molecular FormulaC19H19FN6O3
Molecular Weight398.40 g/mol
Exact Mass398.15
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)n1
InChIInChI=1S/C19H19FN6O3/c1-11-8-12(2)25(23-11)10-17(28)21-22-19(29)18-16(27)9-13(3)26(24-18)15-7-5-4-6-14(15)20/h4-9H,10H2,1-3H3,(H,21,28)(H,22,29)
InChIKeyZPKZSEIFKAOZNJ-UHFFFAOYSA-N
XLogP0.95
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9091973
1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088610
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-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 26687881
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide
CID 9428628
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride
CID 119447197
N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 46656815

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide (CID 9088640) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)n1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The InChIKey is ZPKZSEIFKAOZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3/c1-11-8-12(2)25(23-11)10-17(28)21-22-19(29)18-16(27)9-13(3)26(24-18)15-7-5-4-6-14(15)20/h4-9H,10H2,1-3H3,(H,21,28)(H,22,29).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide has a molecular weight of 398.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 9088640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).