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

C13H21N3 — CID 105111927

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

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

1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine (PubChem CID 105111927) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine
PubChem CID105111927
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine
SMILESCC#CCC(NC)c1cc(CC)nn1CC
InChIInChI=1S/C13H21N3/c1-5-8-9-12(14-4)13-10-11(6-2)15-16(13)7-3/h10,12,14H,6-7,9H2,1-4H3
InChIKeyUDOBBLGMBHXIBS-UHFFFAOYSA-N
XLogP2.14
TPSA29.85 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 ≤ 52.14
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-(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-methyl-2-pyridin-4-ylethanamine
CID 105160538
1-(1,3-diethylpyrazol-5-yl)hex-4-yn-1-amine
CID 105181412
1-(1,3-diethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109456
1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 105112856
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine
CID 105077550
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
2-(3-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105169332
2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 106867142
1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine
CID 105149069
2-(4-chloro-3-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 107891586

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine (CID 105111927) is 1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine is CC#CCC(NC)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine?
The InChIKey is UDOBBLGMBHXIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-5-8-9-12(14-4)13-10-11(6-2)15-16(13)7-3/h10,12,14H,6-7,9H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine?
1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.14, 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)-N-methylpent-3-yn-1-amine is sourced from PubChem (CID 105111927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).