1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine

C12H23N3O — CID 62731441

IUPAC1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(CCOCC)c1
InChIInChI=1S/C12H23N3O/c1-4-12(13-5-2)11-9-14-15(10-11)7-8-16-6-3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyBWVNKCPSNMDDQY-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.98
Rot. Bonds8

About 1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine

1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 62731441) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID62731441
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(CCOCC)c1
InChIInChI=1S/C12H23N3O/c1-4-12(13-5-2)11-9-14-15(10-11)7-8-16-6-3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyBWVNKCPSNMDDQY-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'}

Analyze 1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730531
N-ethyl-1-[1-(2-methylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 62729799
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731794
1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 114192598
[3-ethoxy-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105288600
N-ethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 62729985
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 55109411
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
1-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 65326734
4-(chloromethyl)-1-(2-ethoxyethyl)pyrazole
CID 62729841
[1-(2-ethoxyethyl)pyrazol-4-yl]methanol
CID 62731815
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine (CID 62731441) is 1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1cnn(CCOCC)c1.
What is the InChIKey of 1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is BWVNKCPSNMDDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-12(13-5-2)11-9-14-15(10-11)7-8-16-6-3/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine 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 1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62731441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).