1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine

C13H21N3 — CID 105181412

IUPAC1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cc(CC)nn1CC
InChIInChI=1S/C13H21N3/c1-4-7-8-9-12(14)13-10-11(5-2)15-16(13)6-3/h10,12H,5-6,8-9,14H2,1-3H3
InChIKeyQNBIVGBTSRWFQO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.27
Rot. Bonds5

About 1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine

1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine (PubChem CID 105181412) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine
PubChem CID105181412
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cc(CC)nn1CC
InChIInChI=1S/C13H21N3/c1-4-7-8-9-12(14)13-10-11(5-2)15-16(13)6-3/h10,12H,5-6,8-9,14H2,1-3H3
InChIKeyQNBIVGBTSRWFQO-UHFFFAOYSA-N
XLogP2.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)hex-4-yn-1-amine
CID 105181413
1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 105093971
1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine
CID 105111927
1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine
CID 105161142
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
1-(2-ethyl-5-methylpyrazol-3-yl)hex-4-ynylhydrazine
CID 105335035
cyclopropyl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105157155
1-(1,3-diethylpyrazol-5-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167093
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154827
1-(1-methylimidazol-2-yl)hex-4-yn-1-amine
CID 104807136
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine
CID 105179636
1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine
CID 105149069

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine (CID 105181412) is 1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine is CC#CCCC(N)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine?
The InChIKey is QNBIVGBTSRWFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-7-8-9-12(14)13-10-11(5-2)15-16(13)6-3/h10,12H,5-6,8-9,14H2,1-3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine?
1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.27, 5 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)hex-4-yn-1-amine is sourced from PubChem (CID 105181412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).