1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine

C9H18N4O — CID 142144905

IUPAC1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine
SMILESCN(C)CCOCCn1cc(N)cn1
InChIInChI=1S/C9H18N4O/c1-12(2)3-5-14-6-4-13-8-9(10)7-11-13/h7-8H,3-6,10H2,1-2H3
InChIKeyUUMVGPILOKYGRU-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.04
Rot. Bonds6

About 1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine

1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine (PubChem CID 142144905) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine
PubChem CID142144905
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine
SMILESCN(C)CCOCCn1cc(N)cn1
InChIInChI=1S/C9H18N4O/c1-12(2)3-5-14-6-4-13-8-9(10)7-11-13/h7-8H,3-6,10H2,1-2H3
InChIKeyUUMVGPILOKYGRU-UHFFFAOYSA-N
XLogP0.04
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
1-[2-(2-methylpropoxy)ethyl]pyrazol-4-amine
CID 62138272
1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine
CID 62137722
ethane;1-(3-methoxypropyl)pyrazol-4-amine
CID 178006933
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
CID 62137352
1-[2-[ethyl(2-methoxyethyl)amino]ethyl]pyrazol-4-amine
CID 62138819
1-(2-cyclopropyloxyethyl)pyrazol-4-amine
CID 165480106
1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine
CID 62137166
1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol
CID 62332870
1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine
CID 62137706
1-[2-(dibutylamino)ethyl]pyrazol-4-amine
CID 62138066

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine (CID 142144905) is 1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine is CN(C)CCOCCn1cc(N)cn1.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine?
The InChIKey is UUMVGPILOKYGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-12(2)3-5-14-6-4-13-8-9(10)7-11-13/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine?
1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine has a molecular weight of 198.27 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine is sourced from PubChem (CID 142144905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).