1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine

C14H23N3 — CID 105149010

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1cc(C)nn1CC
InChIInChI=1S/C14H23N3/c1-5-8-9-13(15-10-6-2)14-11-12(4)16-17(14)7-3/h1,11,13,15H,6-10H2,2-4H3
InChIKeyRCGOWIACAIEKGE-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.67
Rot. Bonds7

About 1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine

1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine (PubChem CID 105149010) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine
PubChem CID105149010
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1cc(C)nn1CC
InChIInChI=1S/C14H23N3/c1-5-8-9-13(15-10-6-2)14-11-12(4)16-17(14)7-3/h1,11,13,15H,6-10H2,2-4H3
InChIKeyRCGOWIACAIEKGE-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-(2-ethyl-5-methylpyrazol-3-yl)-N-propylprop-2-yn-1-amine
CID 105158193
1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
CID 105179663
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine
CID 105333462
N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105085268
1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031164
1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine
CID 105149069
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine
CID 105077550
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine
CID 105179636
N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113696
N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105114437
1-(2-ethyl-5-methylpyrazol-3-yl)hex-4-ynylhydrazine
CID 105335035
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine
CID 105156471

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine (CID 105149010) is 1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine is C#CCCC(NCCC)c1cc(C)nn1CC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine?
The InChIKey is RCGOWIACAIEKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-8-9-13(15-10-6-2)14-11-12(4)16-17(14)7-3/h1,11,13,15H,6-10H2,2-4H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine is sourced from PubChem (CID 105149010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).