[5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine

C4H5F3N4 — CID 74892489

IUPAC[5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine
SMILESNNc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C4H5F3N4/c5-4(6,7)2-1-3(9-8)11-10-2/h1H,8H2,(H2,9,10,11)
InChIKeyXBJKUISPGSBQQC-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.71
Rot. Bonds1

About [5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine

[5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine (PubChem CID 74892489) has the molecular formula C4H5F3N4 and a molecular weight of 166.11 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine
PubChem CID74892489
Molecular FormulaC4H5F3N4
Molecular Weight166.11 g/mol
Exact Mass166.05
IUPAC Name[5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine
SMILESNNc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C4H5F3N4/c5-4(6,7)2-1-3(9-8)11-10-2/h1H,8H2,(H2,9,10,11)
InChIKeyXBJKUISPGSBQQC-UHFFFAOYSA-N
XLogP0.71
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine?
The IUPAC name of [5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine (CID 74892489) is [5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine.
What is the SMILES notation for [5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine?
The canonical SMILES for [5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine is NNc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of [5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine?
The InChIKey is XBJKUISPGSBQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N4/c5-4(6,7)2-1-3(9-8)11-10-2/h1H,8H2,(H2,9,10,11).
What are the key properties of [5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine?
[5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine has a molecular weight of 166.11 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine is sourced from PubChem (CID 74892489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).