1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine

C11H18N4 — CID 105307847

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1c(C)nn(C)c1C
InChIInChI=1S/C11H18N4/c1-5-6-7-10(13-12)11-8(2)14-15(4)9(11)3/h1,10,13H,6-7,12H2,2-4H3
InChIKeyUMVYZMPUDAIWMB-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.95
Rot. Bonds4

About 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine

1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine (PubChem CID 105307847) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine
PubChem CID105307847
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1c(C)nn(C)c1C
InChIInChI=1S/C11H18N4/c1-5-6-7-10(13-12)11-8(2)14-15(4)9(11)3/h1,10,13H,6-7,12H2,2-4H3
InChIKeyUMVYZMPUDAIWMB-UHFFFAOYSA-N
XLogP0.95
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-1-amine
CID 105179598
[2-(4-ethylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105287881
3-(methylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 64812406
1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine
CID 105307830
[3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105314270
[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105325079
1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine
CID 107979125
[2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105284541
[2-(2-methyl-1,3-thiazol-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105316132
[2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105295191
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-2-amine
CID 105149064
N-prop-2-ynyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71935380

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine (CID 105307847) is 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine is C#CCCC(NN)c1c(C)nn(C)c1C.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine?
The InChIKey is UMVYZMPUDAIWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-5-6-7-10(13-12)11-8(2)14-15(4)9(11)3/h1,10,13H,6-7,12H2,2-4H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine?
1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine has a molecular weight of 206.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine is sourced from PubChem (CID 105307847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).