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

C19H19ClN6O3 — CID 9088610

IUPAC1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)n1
InChIInChI=1S/C19H19ClN6O3/c1-11-8-12(2)25(23-11)10-17(28)21-22-19(29)18-16(27)9-13(3)26(24-18)15-6-4-14(20)5-7-15/h4-9H,10H2,1-3H3,(H,21,28)(H,22,29)
InChIKeyOBBJSZYZEIOJLW-UHFFFAOYSA-N
MW414.85 g/mol
LogP1.47
Rot. Bonds4

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

1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide (PubChem CID 9088610) has the molecular formula C19H19ClN6O3 and a molecular weight of 414.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
PubChem CID9088610
Molecular FormulaC19H19ClN6O3
Molecular Weight414.85 g/mol
Exact Mass414.12
IUPAC Name1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)n1
InChIInChI=1S/C19H19ClN6O3/c1-11-8-12(2)25(23-11)10-17(28)21-22-19(29)18-16(27)9-13(3)26(24-18)15-6-4-14(20)5-7-15/h4-9H,10H2,1-3H3,(H,21,28)(H,22,29)
InChIKeyOBBJSZYZEIOJLW-UHFFFAOYSA-N
XLogP1.47
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 51.47
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

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CID 9088640
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CID 26924295
N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 27669104
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CID 34390205
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
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CID 26926496
1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide
CID 46515956
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 25441787
1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridazine-3-carboxamide
CID 18288535
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide (CID 9088610) is 1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide?
The InChIKey is OBBJSZYZEIOJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O3/c1-11-8-12(2)25(23-11)10-17(28)21-22-19(29)18-16(27)9-13(3)26(24-18)15-6-4-14(20)5-7-15/h4-9H,10H2,1-3H3,(H,21,28)(H,22,29).
What are the key properties of 1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide?
1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide has a molecular weight of 414.85 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 9088610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).