[1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine

C9H15F3N4 — CID 105205923

IUPAC[1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine
SMILESCCn1cc(CC(CC(F)(F)F)NN)cn1
InChIInChI=1S/C9H15F3N4/c1-2-16-6-7(5-14-16)3-8(15-13)4-9(10,11)12/h5-6,8,15H,2-4,13H2,1H3
InChIKeyQKHWPFNUECQIDF-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.23
Rot. Bonds5

About [1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine

[1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine (PubChem CID 105205923) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is [1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine
PubChem CID105205923
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name[1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine
SMILESCCn1cc(CC(CC(F)(F)F)NN)cn1
InChIInChI=1S/C9H15F3N4/c1-2-16-6-7(5-14-16)3-8(15-13)4-9(10,11)12/h5-6,8,15H,2-4,13H2,1H3
InChIKeyQKHWPFNUECQIDF-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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'}

Analyze [1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine with MolForge

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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
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
1-[1-(3,3,3-Trifluoropropyl)pyrazol-4-yl]ethanamine
CID 64566976

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The IUPAC name of [1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine (CID 105205923) is [1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The canonical SMILES for [1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine is CCn1cc(CC(CC(F)(F)F)NN)cn1.
What is the InChIKey of [1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The InChIKey is QKHWPFNUECQIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-2-16-6-7(5-14-16)3-8(15-13)4-9(10,11)12/h5-6,8,15H,2-4,13H2,1H3.
What are the key properties of [1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine?
[1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine has a molecular weight of 236.24 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine is sourced from PubChem (CID 105205923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).