N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine

C12H23N3O — CID 63976814

IUPACN-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1ccnn1CC
InChIInChI=1S/C12H23N3O/c1-4-9-16-10-11(13-5-2)12-7-8-14-15(12)6-3/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyPXSWNOJGQFSKOK-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.98
Rot. Bonds8

About N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine

N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine (PubChem CID 63976814) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine
PubChem CID63976814
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1ccnn1CC
InChIInChI=1S/C12H23N3O/c1-4-9-16-10-11(13-5-2)12-7-8-14-15(12)6-3/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyPXSWNOJGQFSKOK-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148325
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105148476
[2-ethoxy-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105235336
1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148342
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
CID 114649117
N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63976177
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
CID 105148426
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148427
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine?
The IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine (CID 63976814) is N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine.
What is the SMILES notation for N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine?
The canonical SMILES for N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine is CCCOCC(NCC)c1ccnn1CC.
What is the InChIKey of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine?
The InChIKey is PXSWNOJGQFSKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-9-16-10-11(13-5-2)12-7-8-14-15(12)6-3/h7-8,11,13H,4-6,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine?
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine is sourced from PubChem (CID 63976814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).