1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine

C10H17N3 — CID 105161142

IUPAC1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(CC)nn1CC
InChIInChI=1S/C10H17N3/c1-4-8-7-10(9(11)5-2)13(6-3)12-8/h5,7,9H,2,4,6,11H2,1,3H3
InChIKeyDTMTZZLWAOFXKA-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.65
Rot. Bonds4

About 1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine

1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine (PubChem CID 105161142) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine
PubChem CID105161142
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine
SMILESC=CC(N)c1cc(CC)nn1CC
InChIInChI=1S/C10H17N3/c1-4-8-7-10(9(11)5-2)13(6-3)12-8/h5,7,9H,2,4,6,11H2,1,3H3
InChIKeyDTMTZZLWAOFXKA-UHFFFAOYSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,3-diethylpyrazol-5-yl)prop-2-en-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-(1,3-diethylpyrazol-5-yl)prop-2-enylhydrazine
CID 105318016
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
cyclopropyl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105157155
1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine
CID 105181412
1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine
CID 105108095
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154827
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 105093971
1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine
CID 105153055
(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105140273
1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105184781
(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
CID 105188707

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine (CID 105161142) is 1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine is C=CC(N)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine?
The InChIKey is DTMTZZLWAOFXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-8-7-10(9(11)5-2)13(6-3)12-8/h5,7,9H,2,4,6,11H2,1,3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine?
1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 105161142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).