N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine

C12H23N3O — CID 115970239

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNC(C)c1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-5-16-8-6-7-13-10(2)12-9-14-15(4)11(12)3/h9-10,13H,5-8H2,1-4H3
InChIKeyLEHSRBJSFQOTBU-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.81
Rot. Bonds7

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine (PubChem CID 115970239) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine
PubChem CID115970239
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNC(C)c1cnn(C)c1C
InChIInChI=1S/C12H23N3O/c1-5-16-8-6-7-13-10(2)12-9-14-15(4)11(12)3/h9-10,13H,5-8H2,1-4H3
InChIKeyLEHSRBJSFQOTBU-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.81
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

1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine
CID 115970494
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 115970779
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol
CID 115970555
1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol
CID 115971884
1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol
CID 110010526
[1-[4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]butyl]pyrrolidin-2-yl]methanol
CID 110010515
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 105083312
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 105177141
1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 19625587
N-[1-(2,5-dichlorophenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196158

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine (CID 115970239) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine is CCOCCCNC(C)c1cnn(C)c1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine?
The InChIKey is LEHSRBJSFQOTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-16-8-6-7-13-10(2)12-9-14-15(4)11(12)3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 115970239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).