[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine

C8H13F3N4 — CID 105228284

IUPAC[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine
SMILESCn1cc(C(CCC(F)(F)F)NN)cn1
InChIInChI=1S/C8H13F3N4/c1-15-5-6(4-13-15)7(14-12)2-3-8(9,10)11/h4-5,7,14H,2-3,12H2,1H3
InChIKeyWMBVAXDUXJIWTG-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.27
Rot. Bonds4

About [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine

[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine (PubChem CID 105228284) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine
PubChem CID105228284
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine
SMILESCn1cc(C(CCC(F)(F)F)NN)cn1
InChIInChI=1S/C8H13F3N4/c1-15-5-6(4-13-15)7(14-12)2-3-8(9,10)11/h4-5,7,14H,2-3,12H2,1H3
InChIKeyWMBVAXDUXJIWTG-UHFFFAOYSA-N
XLogP1.27
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.27
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-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
2-methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62505178
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine dihydrochloride
CID 90482959

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine (CID 105228284) is [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine is Cn1cc(C(CCC(F)(F)F)NN)cn1.
What is the InChIKey of [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine?
The InChIKey is WMBVAXDUXJIWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-15-5-6(4-13-15)7(14-12)2-3-8(9,10)11/h4-5,7,14H,2-3,12H2,1H3.
What are the key properties of [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine?
[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine has a molecular weight of 222.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)butyl]hydrazine is sourced from PubChem (CID 105228284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).