2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide

C18H19N5O2 — CID 90517737

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)cc1
InChIInChI=1S/C18H19N5O2/c1-12-4-6-15(7-5-12)19-17(24)11-22-18(25)9-8-16(21-22)23-14(3)10-13(2)20-23/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyRSDQZDLMQUURDT-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.99
Rot. Bonds4

About 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 90517737) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID90517737
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)cc1
InChIInChI=1S/C18H19N5O2/c1-12-4-6-15(7-5-12)19-17(24)11-22-18(25)9-8-16(21-22)23-14(3)10-13(2)20-23/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyRSDQZDLMQUURDT-UHFFFAOYSA-N
XLogP1.99
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 90517725
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 90517813
4-(2,2-dimethylpropanoylamino)-N-[2-[[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]ethyl]benzamide
CID 90517835
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-methylquinolin-4-yl)acetamide
CID 90517741
2-[[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90517782
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 122278467
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
methyl 2-[[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 53368727
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 90539030
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247819
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide
CID 98230198
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26845085

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide (CID 90517737) is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(-n3nc(C)cc3C)ccc2=O)cc1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is RSDQZDLMQUURDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-4-6-15(7-5-12)19-17(24)11-22-18(25)9-8-16(21-22)23-14(3)10-13(2)20-23/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide?
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 90517737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).