2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine

C13H19N5O — CID 103373928

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)c1ccc(OC)nn1
InChIInChI=1S/C13H19N5O/c1-4-18-10(7-9(2)17-18)8-11(14)12-5-6-13(19-3)16-15-12/h5-7,11H,4,8,14H2,1-3H3
InChIKeyKMMHRYHJRAFAMM-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.25
Rot. Bonds5

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine (PubChem CID 103373928) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine
PubChem CID103373928
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)c1ccc(OC)nn1
InChIInChI=1S/C13H19N5O/c1-4-18-10(7-9(2)17-18)8-11(14)12-5-6-13(19-3)16-15-12/h5-7,11H,4,8,14H2,1-3H3
InChIKeyKMMHRYHJRAFAMM-UHFFFAOYSA-N
XLogP1.25
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002556
1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002735
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79616916
1-(6-methoxypyridazin-3-yl)-2-(4-methylphenyl)ethanamine
CID 103373893
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279154
1-(3-chlorothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002800
1-(2,5-dibromophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002899
1-(3-chloro-4-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002629
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105162414
1-(4-bromo-3-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002755
1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 82809655
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103373776

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine (CID 103373928) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine is CCn1nc(C)cc1CC(N)c1ccc(OC)nn1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine?
The InChIKey is KMMHRYHJRAFAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-18-10(7-9(2)17-18)8-11(14)12-5-6-13(19-3)16-15-12/h5-7,11H,4,8,14H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(6-methoxypyridazin-3-yl)ethanamine is sourced from PubChem (CID 103373928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).