1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine

C12H20N4 — CID 105333462

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1cc(C)nn1CC
InChIInChI=1S/C12H20N4/c1-4-6-7-8-11(14-13)12-9-10(3)15-16(12)5-2/h1,9,11,14H,5-8,13H2,2-3H3
InChIKeyOSYKIBYTDSODMS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.52
Rot. Bonds6

About 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine

1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine (PubChem CID 105333462) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine
PubChem CID105333462
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1cc(C)nn1CC
InChIInChI=1S/C12H20N4/c1-4-6-7-8-11(14-13)12-9-10(3)15-16(12)5-2/h1,9,11,14H,5-8,13H2,2-3H3
InChIKeyOSYKIBYTDSODMS-UHFFFAOYSA-N
XLogP1.52
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine
CID 105179636
1-(2-ethyl-5-methylpyrazol-3-yl)hex-4-ynylhydrazine
CID 105335035
1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine
CID 105149010
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylbut-3-yn-1-amine
CID 105077550
1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
CID 105179663
[1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314129
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105316719
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599
[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291184
[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312757
[1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297803
[2-(4-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105299342

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine (CID 105333462) is 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine is C#CCCCC(NN)c1cc(C)nn1CC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine?
The InChIKey is OSYKIBYTDSODMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-6-7-8-11(14-13)12-9-10(3)15-16(12)5-2/h1,9,11,14H,5-8,13H2,2-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine?
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine has a molecular weight of 220.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-ynylhydrazine is sourced from PubChem (CID 105333462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).