N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide

C21H16ClF3N4O3 — CID 46656815

IUPACN'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H16ClF3N4O3/c1-12-10-17(30)19(28-29(12)16-5-3-2-4-15(16)21(23,24)25)20(32)27-26-18(31)11-13-6-8-14(22)9-7-13/h2-10H,11H2,1H3,(H,26,31)(H,27,32)
InChIKeyYYSKWLSFDVPXHW-UHFFFAOYSA-N
MW464.83 g/mol
LogP3.22
Rot. Bonds4

About N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide (PubChem CID 46656815) has the molecular formula C21H16ClF3N4O3 and a molecular weight of 464.83 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
PubChem CID46656815
Molecular FormulaC21H16ClF3N4O3
Molecular Weight464.83 g/mol
Exact Mass464.09
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H16ClF3N4O3/c1-12-10-17(30)19(28-29(12)16-5-3-2-4-15(16)21(23,24)25)20(32)27-26-18(31)11-13-6-8-14(22)9-7-13/h2-10H,11H2,1H3,(H,26,31)(H,27,32)
InChIKeyYYSKWLSFDVPXHW-UHFFFAOYSA-N
XLogP3.22
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.83
LogP ≤ 53.22
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-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 26924295
1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9091973
N-(2-hydroxypropyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78855377
N-(2-aminoethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119382037
6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
1-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]-3-propan-2-ylthiourea
CID 24502778
N-[2-[(2-fluorobenzoyl)amino]ethyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55974052
N-(furan-2-ylmethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8867854
N-(4-amino-3,5-dichlorophenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46665346
2-methyl-2-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]propanoic acid
CID 119187422
N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 60606233
6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 25333423

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide (CID 46656815) is N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide is Cc1cc(=O)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide?
The InChIKey is YYSKWLSFDVPXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O3/c1-12-10-17(30)19(28-29(12)16-5-3-2-4-15(16)21(23,24)25)20(32)27-26-18(31)11-13-6-8-14(22)9-7-13/h2-10H,11H2,1H3,(H,26,31)(H,27,32).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide has a molecular weight of 464.83 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide is sourced from PubChem (CID 46656815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).