[1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine

C8H13F3N4 — CID 103025856

IUPAC[1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCn1cc(CCC(NN)C(F)(F)F)cn1
InChIInChI=1S/C8H13F3N4/c1-15-5-6(4-13-15)2-3-7(14-12)8(9,10)11/h4-5,7,14H,2-3,12H2,1H3
InChIKeyXZSSVUYZVQIXCJ-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.75
Rot. Bonds4

About [1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine

[1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine (PubChem CID 103025856) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is [1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
PubChem CID103025856
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name[1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCn1cc(CCC(NN)C(F)(F)F)cn1
InChIInChI=1S/C8H13F3N4/c1-15-5-6(4-13-15)2-3-7(14-12)8(9,10)11/h4-5,7,14H,2-3,12H2,1H3
InChIKeyXZSSVUYZVQIXCJ-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
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 [1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
The IUPAC name of [1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine (CID 103025856) is [1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine is Cn1cc(CCC(NN)C(F)(F)F)cn1.
What is the InChIKey of [1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
The InChIKey is XZSSVUYZVQIXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-15-5-6(4-13-15)2-3-7(14-12)8(9,10)11/h4-5,7,14H,2-3,12H2,1H3.
What are the key properties of [1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
[1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine has a molecular weight of 222.21 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 103025856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).