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

C20H17ClN4O3 — CID 26924295

IUPACN'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C20H17ClN4O3/c1-13-11-17(26)19(24-25(13)16-5-3-2-4-6-16)20(28)23-22-18(27)12-14-7-9-15(21)10-8-14/h2-11H,12H2,1H3,(H,22,27)(H,23,28)
InChIKeyYCIZWIFBHBNVIP-UHFFFAOYSA-N
MW396.83 g/mol
LogP2.20
Rot. Bonds4

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

N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide (PubChem CID 26924295) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
PubChem CID26924295
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C20H17ClN4O3/c1-13-11-17(26)19(24-25(13)16-5-3-2-4-6-16)20(28)23-22-18(27)12-14-7-9-15(21)10-8-14/h2-11H,12H2,1H3,(H,22,27)(H,23,28)
InChIKeyYCIZWIFBHBNVIP-UHFFFAOYSA-N
XLogP2.20
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 52.20
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-[2-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 46656815
1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088610
N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 9086701
1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9091973
N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 27669104
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 18275042
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86968285
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 26926496

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide (CID 26924295) is N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide is Cc1cc(=O)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)nn1-c1ccccc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The InChIKey is YCIZWIFBHBNVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-13-11-17(26)19(24-25(13)16-5-3-2-4-6-16)20(28)23-22-18(27)12-14-7-9-15(21)10-8-14/h2-11H,12H2,1H3,(H,22,27)(H,23,28).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide has a molecular weight of 396.83 g/mol, XLogP of 2.20, 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-phenylpyridazine-3-carbohydrazide is sourced from PubChem (CID 26924295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).