2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine

C11H21N3O2 — CID 63685973

IUPAC2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOC(CN)c1cnn(C)c1
InChIInChI=1S/C11H21N3O2/c1-3-4-15-5-6-16-11(7-12)10-8-13-14(2)9-10/h8-9,11H,3-7,12H2,1-2H3
InChIKeyLIIVQBMAUWSFFF-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.86
Rot. Bonds8

About 2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine

2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine (PubChem CID 63685973) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine
PubChem CID63685973
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOC(CN)c1cnn(C)c1
InChIInChI=1S/C11H21N3O2/c1-3-4-15-5-6-16-11(7-12)10-8-13-14(2)9-10/h8-9,11H,3-7,12H2,1-2H3
InChIKeyLIIVQBMAUWSFFF-UHFFFAOYSA-N
XLogP0.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112587158
2-(1-methylpyrazol-4-yl)-2-(4-methylsulfanylphenoxy)ethanamine
CID 63649329
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102721703
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
CID 105113884
N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43272781
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43125888
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 55011601

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine (CID 63685973) is 2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine is CCCOCCOC(CN)c1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine?
The InChIKey is LIIVQBMAUWSFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-4-15-5-6-16-11(7-12)10-8-13-14(2)9-10/h8-9,11H,3-7,12H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine?
2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine has a molecular weight of 227.31 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-(2-propoxyethoxy)ethanamine is sourced from PubChem (CID 63685973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).