2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide

C13H17N5O2 — CID 90517813

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1nc(-n2nc(C)cc2C)ccc1=O
InChIInChI=1S/C13H17N5O2/c1-4-14-12(19)8-17-13(20)6-5-11(16-17)18-10(3)7-9(2)15-18/h5-7H,4,8H2,1-3H3,(H,14,19)
InChIKeyQWWTWOXBJBBZSK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.18
Rot. Bonds4

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

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide (PubChem CID 90517813) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide
PubChem CID90517813
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1nc(-n2nc(C)cc2C)ccc1=O
InChIInChI=1S/C13H17N5O2/c1-4-14-12(19)8-17-13(20)6-5-11(16-17)18-10(3)7-9(2)15-18/h5-7H,4,8H2,1-3H3,(H,14,19)
InChIKeyQWWTWOXBJBBZSK-UHFFFAOYSA-N
XLogP0.18
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.18
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-(4-methylphenyl)acetamide
CID 90517737
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 90539030
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 90517725
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
N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide
CID 90517770
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide
CID 100906109
4-(2,2-dimethylpropanoylamino)-N-[2-[[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]ethyl]benzamide
CID 90517835
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-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-methylquinolin-4-yl)acetamide
CID 90517741
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-phenylacetamide
CID 90538883
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546906

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide (CID 90517813) is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide is CCNC(=O)Cn1nc(-n2nc(C)cc2C)ccc1=O.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide?
The InChIKey is QWWTWOXBJBBZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-14-12(19)8-17-13(20)6-5-11(16-17)18-10(3)7-9(2)15-18/h5-7H,4,8H2,1-3H3,(H,14,19).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide?
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide has a molecular weight of 275.31 g/mol, XLogP of 0.18, 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-ethylacetamide is sourced from PubChem (CID 90517813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).