3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole

C5H3Br2F3N2 — CID 162614805

IUPAC3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(Br)c(Br)c1C(F)(F)F
InChIInChI=1S/C5H3Br2F3N2/c1-12-3(5(8,9)10)2(6)4(7)11-12/h1H3
InChIKeyPVSFEXZWMHDCRF-UHFFFAOYSA-N
MW307.90 g/mol
LogP2.96
Rot. Bonds

About 3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole

3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 162614805) has the molecular formula C5H3Br2F3N2 and a molecular weight of 307.90 g/mol. Its IUPAC name is 3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID162614805
Molecular FormulaC5H3Br2F3N2
Molecular Weight307.90 g/mol
Exact Mass305.86
IUPAC Name3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(Br)c(Br)c1C(F)(F)F
InChIInChI=1S/C5H3Br2F3N2/c1-12-3(5(8,9)10)2(6)4(7)11-12/h1H3
InChIKeyPVSFEXZWMHDCRF-UHFFFAOYSA-N
XLogP2.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.90
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole 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-dibromo-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole (CID 162614805) is 3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(Br)c(Br)c1C(F)(F)F.
What is the InChIKey of 3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is PVSFEXZWMHDCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2F3N2/c1-12-3(5(8,9)10)2(6)4(7)11-12/h1H3.
What are the key properties of 3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole?
3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 307.90 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 162614805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).