1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine

C11H21N3O — CID 105148342

IUPAC1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)c1ccnn1CC
InChIInChI=1S/C11H21N3O/c1-3-8-15-9-6-10(12)11-5-7-13-14(11)4-2/h5,7,10H,3-4,6,8-9,12H2,1-2H3
InChIKeyRVWDRILYQZDAKB-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.72
Rot. Bonds7

About 1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine

1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine (PubChem CID 105148342) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
PubChem CID105148342
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(N)c1ccnn1CC
InChIInChI=1S/C11H21N3O/c1-3-8-15-9-6-10(12)11-5-7-13-14(11)4-2/h5,7,10H,3-4,6,8-9,12H2,1-2H3
InChIKeyRVWDRILYQZDAKB-UHFFFAOYSA-N
XLogP1.72
TPSA53.07 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 ≤ 51.72
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
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine
CID 63976814
1-(2-ethylpyrazol-3-yl)but-3-en-1-amine
CID 116660396
ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate
CID 114556106
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677
1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147479
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanamine
CID 63974244
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105148476
2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66142205

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine (CID 105148342) is 1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine is CCCOCCC(N)c1ccnn1CC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine?
The InChIKey is RVWDRILYQZDAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-8-15-9-6-10(12)11-5-7-13-14(11)4-2/h5,7,10H,3-4,6,8-9,12H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine?
1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine is sourced from PubChem (CID 105148342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).