3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide

C7H8BrF3N4O — CID 19620196

IUPAC3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESNNC(=O)CCn1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C7H8BrF3N4O/c8-4-3-15(2-1-5(16)13-12)14-6(4)7(9,10)11/h3H,1-2,12H2,(H,13,16)
InChIKeyAZSLHTKTAKZBEI-UHFFFAOYSA-N
MW301.07 g/mol
LogP1.04
Rot. Bonds3

About 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide

3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (PubChem CID 19620196) has the molecular formula C7H8BrF3N4O and a molecular weight of 301.07 g/mol. Its IUPAC name is 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
PubChem CID19620196
Molecular FormulaC7H8BrF3N4O
Molecular Weight301.07 g/mol
Exact Mass299.98
IUPAC Name3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESNNC(=O)CCn1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C7H8BrF3N4O/c8-4-3-15(2-1-5(16)13-12)14-6(4)7(9,10)11/h3H,1-2,12H2,(H,13,16)
InChIKeyAZSLHTKTAKZBEI-UHFFFAOYSA-N
XLogP1.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The IUPAC name of 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (CID 19620196) is 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.
What is the SMILES notation for 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The canonical SMILES for 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is NNC(=O)CCn1cc(Br)c(C(F)(F)F)n1.
What is the InChIKey of 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The InChIKey is AZSLHTKTAKZBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N4O/c8-4-3-15(2-1-5(16)13-12)14-6(4)7(9,10)11/h3H,1-2,12H2,(H,13,16).
What are the key properties of 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide has a molecular weight of 301.07 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is sourced from PubChem (CID 19620196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).