2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine

C12H21N3O — CID 116723121

IUPAC2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCOC(C1CC1)C(N)c1ccnn1CC
InChIInChI=1S/C12H21N3O/c1-3-15-10(7-8-14-15)11(13)12(16-4-2)9-5-6-9/h7-9,11-12H,3-6,13H2,1-2H3
InChIKeyDGQREOBVIFYEBJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds6

About 2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine

2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine (PubChem CID 116723121) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine
PubChem CID116723121
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCOC(C1CC1)C(N)c1ccnn1CC
InChIInChI=1S/C12H21N3O/c1-3-15-10(7-8-14-15)11(13)12(16-4-2)9-5-6-9/h7-9,11-12H,3-6,13H2,1-2H3
InChIKeyDGQREOBVIFYEBJ-UHFFFAOYSA-N
XLogP1.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116772422
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine
CID 116722271
cyclooctyl-(2-ethylpyrazol-3-yl)methanamine
CID 80604016
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 114661347
2-cyclopropyl-2-ethoxy-1-(furan-2-yl)ethanamine
CID 116723060
[2-cyclohexyl-2-ethoxy-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105278818
2-cyclopropyl-2-ethoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 116723094
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423027
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 115858181
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropyl-2-ethoxyethanamine
CID 114661350
5-(2,2-dicyclopropylethyl)-1-ethylpyrazole
CID 175896665

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine (CID 116723121) is 2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine is CCOC(C1CC1)C(N)c1ccnn1CC.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine?
The InChIKey is DGQREOBVIFYEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15-10(7-8-14-15)11(13)12(16-4-2)9-5-6-9/h7-9,11-12H,3-6,13H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine?
2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 116723121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).