1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine

C11H21N3O — CID 115970494

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)c1cnn(C)c1C
InChIInChI=1S/C11H21N3O/c1-5-15-7-6-12-9(2)11-8-13-14(4)10(11)3/h8-9,12H,5-7H2,1-4H3
InChIKeySWHKFKILJUIWJA-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds6

About 1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine (PubChem CID 115970494) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine
PubChem CID115970494
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNC(C)c1cnn(C)c1C
InChIInChI=1S/C11H21N3O/c1-5-15-7-6-12-9(2)11-8-13-14(4)10(11)3/h8-9,12H,5-7H2,1-4H3
InChIKeySWHKFKILJUIWJA-UHFFFAOYSA-N
XLogP1.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine
CID 115970239
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-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 105083312
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956669
1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 19625587
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
CID 43751933

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine (CID 115970494) is 1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine is CCOCCNC(C)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine?
The InChIKey is SWHKFKILJUIWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-15-7-6-12-9(2)11-8-13-14(4)10(11)3/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 115970494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).