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

C14H23N3 — CID 105149069

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine
SMILESC#CCCC(NCC)c1cc(CC)nn1CC
InChIInChI=1S/C14H23N3/c1-5-9-10-13(15-7-3)14-11-12(6-2)16-17(14)8-4/h1,11,13,15H,6-10H2,2-4H3
InChIKeyIIXGNKAMFKBDKT-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.53
Rot. Bonds7

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

1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine (PubChem CID 105149069) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine
PubChem CID105149069
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine
SMILESC#CCCC(NCC)c1cc(CC)nn1CC
InChIInChI=1S/C14H23N3/c1-5-9-10-13(15-7-3)14-11-12(6-2)16-17(14)8-4/h1,11,13,15H,6-10H2,2-4H3
InChIKeyIIXGNKAMFKBDKT-UHFFFAOYSA-N
XLogP2.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.53
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

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine
CID 105179702
1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105127926
1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine
CID 105108095
1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine
CID 105149010
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 105151896
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030515
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,3-diethylpyrazol-5-yl)-N-ethylethanamine
CID 105167871
1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
CID 105177082
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 105082907
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
CID 105084399
1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine
CID 105111927

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine (CID 105149069) is 1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine is C#CCCC(NCC)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine?
The InChIKey is IIXGNKAMFKBDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-9-10-13(15-7-3)14-11-12(6-2)16-17(14)8-4/h1,11,13,15H,6-10H2,2-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine?
1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.53, 7 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)-N-ethylpent-4-yn-1-amine is sourced from PubChem (CID 105149069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).