1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine

C12H19N3 — CID 105179636

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1cc(C)nn1CC
InChIInChI=1S/C12H19N3/c1-4-6-7-8-11(13)12-9-10(3)14-15(12)5-2/h1,9,11H,5-8,13H2,2-3H3
InChIKeyQYMNDVVRJDSHAG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.01
Rot. Bonds5

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

1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine (PubChem CID 105179636) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine
PubChem CID105179636
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1cc(C)nn1CC
InChIInChI=1S/C12H19N3/c1-4-6-7-8-11(13)12-9-10(3)14-15(12)5-2/h1,9,11H,5-8,13H2,2-3H3
InChIKeyQYMNDVVRJDSHAG-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-ynylhydrazine
CID 105333462
1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine
CID 105174400
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
2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780
2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105101126
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
1-(2-ethyl-5-methylpyrazol-3-yl)hex-4-ynylhydrazine
CID 105335035
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188301
1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
CID 105085263
1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylprop-2-yn-1-amine
CID 105158193

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine (CID 105179636) is 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine is C#CCCCC(N)c1cc(C)nn1CC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine?
The InChIKey is QYMNDVVRJDSHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-6-7-8-11(13)12-9-10(3)14-15(12)5-2/h1,9,11H,5-8,13H2,2-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.01, 5 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)hex-5-yn-1-amine is sourced from PubChem (CID 105179636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).