2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine

C10H19N3O2 — CID 106104206

IUPAC2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCOC(CNCCc1ccn(C)n1)OC
InChIInChI=1S/C10H19N3O2/c1-13-7-5-9(12-13)4-6-11-8-10(14-2)15-3/h5,7,10-11H,4,6,8H2,1-3H3
InChIKeyKOIJKBCBEIVGOC-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.17
Rot. Bonds7

About 2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine

2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 106104206) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
PubChem CID106104206
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCOC(CNCCc1ccn(C)n1)OC
InChIInChI=1S/C10H19N3O2/c1-13-7-5-9(12-13)4-6-11-8-10(14-2)15-3/h5,7,10-11H,4,6,8H2,1-3H3
InChIKeyKOIJKBCBEIVGOC-UHFFFAOYSA-N
XLogP0.17
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propane-1,2-diol
CID 106104702
3,3-diethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106104477
4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106104646
N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
CID 106104362
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104550
ethyl 3-hydroxy-4-[2-(1-methylpyrazol-3-yl)ethylamino]butanoate
CID 114144039
2-[2-(1-methylpyrazol-3-yl)ethylamino]-1-thiophen-2-ylethanol
CID 106104586
N',N'-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 106104819
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866
1-(2,6-difluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]ethanol
CID 106104708
N-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626842

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine (CID 106104206) is 2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine is COC(CNCCc1ccn(C)n1)OC.
What is the InChIKey of 2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is KOIJKBCBEIVGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-13-7-5-9(12-13)4-6-11-8-10(14-2)15-3/h5,7,10-11H,4,6,8H2,1-3H3.
What are the key properties of 2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 213.28 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 106104206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).