2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine

C16H25N5 — CID 105161642

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
SMILESCCc1cc(CC(N)c2cc(C)nnc2CC)n(CC)n1
InChIInChI=1S/C16H25N5/c1-5-12-9-13(21(7-3)20-12)10-15(17)14-8-11(4)18-19-16(14)6-2/h8-9,15H,5-7,10,17H2,1-4H3
InChIKeyWABVWEFUMLLMSQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.37
Rot. Bonds6

About 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine

2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine (PubChem CID 105161642) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
PubChem CID105161642
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
SMILESCCc1cc(CC(N)c2cc(C)nnc2CC)n(CC)n1
InChIInChI=1S/C16H25N5/c1-5-12-9-13(21(7-3)20-12)10-15(17)14-8-11(4)18-19-16(14)6-2/h8-9,15H,5-7,10,17H2,1-4H3
InChIKeyWABVWEFUMLLMSQ-UHFFFAOYSA-N
XLogP2.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105001646
2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105001763
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(4-iodophenyl)ethanamine
CID 105151946
1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001602
1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001648
2-cyclopropyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
CID 105152857
2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105001631
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105001574
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279154
1-(2,5-dibromophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002899

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine (CID 105161642) is 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine is CCc1cc(CC(N)c2cc(C)nnc2CC)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine?
The InChIKey is WABVWEFUMLLMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-5-12-9-13(21(7-3)20-12)10-15(17)14-8-11(4)18-19-16(14)6-2/h8-9,15H,5-7,10,17H2,1-4H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine?
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine is sourced from PubChem (CID 105161642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).