[1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine

C12H21F3N4 — CID 105249025

IUPAC[1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
SMILESCCC(C)n1ccc(CC(CCC(F)(F)F)NN)n1
InChIInChI=1S/C12H21F3N4/c1-3-9(2)19-7-5-11(18-19)8-10(17-16)4-6-12(13,14)15/h5,7,9-10,17H,3-4,6,8,16H2,1-2H3
InChIKeySMZQUIIMTNJCFU-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.57
Rot. Bonds7

About [1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine

[1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine (PubChem CID 105249025) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is [1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
PubChem CID105249025
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name[1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
SMILESCCC(C)n1ccc(CC(CCC(F)(F)F)NN)n1
InChIInChI=1S/C12H21F3N4/c1-3-9(2)19-7-5-11(18-19)8-10(17-16)4-6-12(13,14)15/h5,7,9-10,17H,3-4,6,8,16H2,1-2H3
InChIKeySMZQUIIMTNJCFU-UHFFFAOYSA-N
XLogP2.57
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.57
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'}

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Related Compounds

[1-(1-butan-2-ylpyrazol-3-yl)-4-cyclohexylbutan-2-yl]hydrazine
CID 105312574
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CID 79953927
1-(1-butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312016
[1-(1-butan-2-ylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105312572
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
[1-(1-butan-2-ylpyrazol-3-yl)-3-methylheptan-2-yl]hydrazine
CID 114247274
1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ylhydrazine
CID 105313398
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
[1-(1-butan-2-ylpyrazol-3-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine
CID 105312568
[1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine
CID 105271794
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine
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Frequently Asked Questions

What is the IUPAC name of [1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The IUPAC name of [1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine (CID 105249025) is [1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The canonical SMILES for [1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine is CCC(C)n1ccc(CC(CCC(F)(F)F)NN)n1.
What is the InChIKey of [1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
The InChIKey is SMZQUIIMTNJCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-3-9(2)19-7-5-11(18-19)8-10(17-16)4-6-12(13,14)15/h5,7,9-10,17H,3-4,6,8,16H2,1-2H3.
What are the key properties of [1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine?
[1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine has a molecular weight of 278.32 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine is sourced from PubChem (CID 105249025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).