2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine

C11H21N3O — CID 115655686

IUPAC2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCOC(C)CNCc1cnn(CC)c1
InChIInChI=1S/C11H21N3O/c1-4-14-9-11(8-13-14)7-12-6-10(3)15-5-2/h8-10,12H,4-7H2,1-3H3
InChIKeyKKFMLWAMAODJRB-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds7

About 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine

2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 115655686) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID115655686
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCOC(C)CNCc1cnn(CC)c1
InChIInChI=1S/C11H21N3O/c1-4-14-9-11(8-13-14)7-12-6-10(3)15-5-2/h8-10,12H,4-7H2,1-3H3
InChIKeyKKFMLWAMAODJRB-UHFFFAOYSA-N
XLogP1.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731572
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 62126512
3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 113244969
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588596
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63063064
N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 103569367
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 63966878
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967024

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine (CID 115655686) is 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine is CCOC(C)CNCc1cnn(CC)c1.
What is the InChIKey of 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is KKFMLWAMAODJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-14-9-11(8-13-14)7-12-6-10(3)15-5-2/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115655686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).