[5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine

C9H15F3N4 — CID 105228368

IUPAC[5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine
SMILESCn1cc(C(CCCC(F)(F)F)NN)cn1
InChIInChI=1S/C9H15F3N4/c1-16-6-7(5-14-16)8(15-13)3-2-4-9(10,11)12/h5-6,8,15H,2-4,13H2,1H3
InChIKeyAJNQLLLSJAKMFR-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.66
Rot. Bonds5

About [5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine

[5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine (PubChem CID 105228368) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is [5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine.

Molecular Properties

Compound Name[5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine
PubChem CID105228368
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name[5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine
SMILESCn1cc(C(CCCC(F)(F)F)NN)cn1
InChIInChI=1S/C9H15F3N4/c1-16-6-7(5-14-16)8(15-13)3-2-4-9(10,11)12/h5-6,8,15H,2-4,13H2,1H3
InChIKeyAJNQLLLSJAKMFR-UHFFFAOYSA-N
XLogP1.66
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.66
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-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
1-methyl-4-[(pyrrolidin-2-yl)methyl]-1H-pyrazole
CID 64089898
1-(1-ethyl-1H-pyrazol-4-yl)propan-1-amine
CID 23005819

Frequently Asked Questions

What is the IUPAC name of [5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine?
The IUPAC name of [5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine (CID 105228368) is [5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine.
What is the SMILES notation for [5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine?
The canonical SMILES for [5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine is Cn1cc(C(CCCC(F)(F)F)NN)cn1.
What is the InChIKey of [5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine?
The InChIKey is AJNQLLLSJAKMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-16-6-7(5-14-16)8(15-13)3-2-4-9(10,11)12/h5-6,8,15H,2-4,13H2,1H3.
What are the key properties of [5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine?
[5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine has a molecular weight of 236.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentyl]hydrazine is sourced from PubChem (CID 105228368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).