4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide

C6H6BrF3N4O — CID 7019432

IUPAC4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide
SMILESCn1nc(C(=O)NN)c(Br)c1C(F)(F)F
InChIInChI=1S/C6H6BrF3N4O/c1-14-4(6(8,9)10)2(7)3(13-14)5(15)12-11/h11H2,1H3,(H,12,15)
InChIKeyBPSXQIKGHPFXQR-UHFFFAOYSA-N
MW287.04 g/mol
LogP0.80
Rot. Bonds1

About 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide

4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide (PubChem CID 7019432) has the molecular formula C6H6BrF3N4O and a molecular weight of 287.04 g/mol. Its IUPAC name is 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide
PubChem CID7019432
Molecular FormulaC6H6BrF3N4O
Molecular Weight287.04 g/mol
Exact Mass285.97
IUPAC Name4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide
SMILESCn1nc(C(=O)NN)c(Br)c1C(F)(F)F
InChIInChI=1S/C6H6BrF3N4O/c1-14-4(6(8,9)10)2(7)3(13-14)5(15)12-11/h11H2,1H3,(H,12,15)
InChIKeyBPSXQIKGHPFXQR-UHFFFAOYSA-N
XLogP0.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 50.80
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 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide 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 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide?
The IUPAC name of 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide (CID 7019432) is 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide is Cn1nc(C(=O)NN)c(Br)c1C(F)(F)F.
What is the InChIKey of 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide?
The InChIKey is BPSXQIKGHPFXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3N4O/c1-14-4(6(8,9)10)2(7)3(13-14)5(15)12-11/h11H2,1H3,(H,12,15).
What are the key properties of 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide?
4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide has a molecular weight of 287.04 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 7019432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).