6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide

C18H13ClN6O2 — CID 134130350

IUPAC6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1cnn2-c1ccccc1
InChIInChI=1S/C18H13ClN6O2/c19-11-6-8-13(9-7-11)25-18(27)16-14(15(23-25)17(26)22-20)10-21-24(16)12-4-2-1-3-5-12/h1-10H,20H2,(H,22,26)
InChIKeyCYTAJBCKUGKNPS-UHFFFAOYSA-N
MW380.80 g/mol
LogP1.83
Rot. Bonds3

About 6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide

6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide (PubChem CID 134130350) has the molecular formula C18H13ClN6O2 and a molecular weight of 380.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide
PubChem CID134130350
Molecular FormulaC18H13ClN6O2
Molecular Weight380.80 g/mol
Exact Mass380.08
IUPAC Name6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1cnn2-c1ccccc1
InChIInChI=1S/C18H13ClN6O2/c19-11-6-8-13(9-7-11)25-18(27)16-14(15(23-25)17(26)22-20)10-21-24(16)12-4-2-1-3-5-12/h1-10H,20H2,(H,22,26)
InChIKeyCYTAJBCKUGKNPS-UHFFFAOYSA-N
XLogP1.83
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

X1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic acid 3-benzylamide 5-phenylamide
CID 9824035
1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic acid 5-phenylamide 3-[(pyridin-3-ylmethyl)-amide]
CID 10048413
3-N-benzyl-1-(4-chlorophenyl)-5-N-(2-methylpropyl)pyrazole-3,5-dicarboxamide
CID 11825758
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetamide
CID 16022736
N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
CID 24789939
N-(4-chlorophenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 44431890
N-(4-chlorophenyl)-5-methyl-2-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 44431914
6-benzyl-2-(4-chlorophenyl)-3,4-dimethyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
CID 1234300
N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1-methyl-1H-pyrazole-5-carbohydrazide
CID 6882682
N-(2-chlorophenyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide
CID 20919741
4-methyl-1-phenyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
CID 12240773
1-(4-Chlorophenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
CID 3250598

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide?
The IUPAC name of 6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide (CID 134130350) is 6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide.
What is the SMILES notation for 6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide?
The canonical SMILES for 6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide is NNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1cnn2-c1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide?
The InChIKey is CYTAJBCKUGKNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O2/c19-11-6-8-13(9-7-11)25-18(27)16-14(15(23-25)17(26)22-20)10-21-24(16)12-4-2-1-3-5-12/h1-10H,20H2,(H,22,26).
What are the key properties of 6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide?
6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide has a molecular weight of 380.80 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-oxo-1-phenylpyrazolo[4,5-d]pyridazine-4-carbohydrazide is sourced from PubChem (CID 134130350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).