2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide

C7H9BrF2N4O — CID 7018473

IUPAC2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)NN
InChIInChI=1S/C7H9BrF2N4O/c1-3-5(8)6(7(9)10)13-14(3)2-4(15)12-11/h7H,2,11H2,1H3,(H,12,15)
InChIKeyZLANHXHBVDXICI-UHFFFAOYSA-N
MW283.08 g/mol
LogP0.88
Rot. Bonds3

About 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide (PubChem CID 7018473) has the molecular formula C7H9BrF2N4O and a molecular weight of 283.08 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide
PubChem CID7018473
Molecular FormulaC7H9BrF2N4O
Molecular Weight283.08 g/mol
Exact Mass281.99
IUPAC Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)NN
InChIInChI=1S/C7H9BrF2N4O/c1-3-5(8)6(7(9)10)13-14(3)2-4(15)12-11/h7H,2,11H2,1H3,(H,12,15)
InChIKeyZLANHXHBVDXICI-UHFFFAOYSA-N
XLogP0.88
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 50.88
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 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide 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 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide (CID 7018473) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide is Cc1c(Br)c(C(F)F)nn1CC(=O)NN.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide?
The InChIKey is ZLANHXHBVDXICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF2N4O/c1-3-5(8)6(7(9)10)13-14(3)2-4(15)12-11/h7H,2,11H2,1H3,(H,12,15).
What are the key properties of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide?
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide has a molecular weight of 283.08 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetohydrazide is sourced from PubChem (CID 7018473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).