4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine

C10H6Br2F3N3 — CID 65484996

IUPAC4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1nn(-c2ccc(Br)cc2C(F)(F)F)cc1Br
InChIInChI=1S/C10H6Br2F3N3/c11-5-1-2-8(6(3-5)10(13,14)15)18-4-7(12)9(16)17-18/h1-4H,(H2,16,17)
InChIKeyUHRUYLQGWFUKQZ-UHFFFAOYSA-N
MW384.98 g/mol
LogP4.00
Rot. Bonds1

About 4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine

4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine (PubChem CID 65484996) has the molecular formula C10H6Br2F3N3 and a molecular weight of 384.98 g/mol. Its IUPAC name is 4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine
PubChem CID65484996
Molecular FormulaC10H6Br2F3N3
Molecular Weight384.98 g/mol
Exact Mass382.89
IUPAC Name4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1nn(-c2ccc(Br)cc2C(F)(F)F)cc1Br
InChIInChI=1S/C10H6Br2F3N3/c11-5-1-2-8(6(3-5)10(13,14)15)18-4-7(12)9(16)17-18/h1-4H,(H2,16,17)
InChIKeyUHRUYLQGWFUKQZ-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.98
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine (CID 65484996) is 4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine is Nc1nn(-c2ccc(Br)cc2C(F)(F)F)cc1Br.
What is the InChIKey of 4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The InChIKey is UHRUYLQGWFUKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2F3N3/c11-5-1-2-8(6(3-5)10(13,14)15)18-4-7(12)9(16)17-18/h1-4H,(H2,16,17).
What are the key properties of 4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine?
4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine has a molecular weight of 384.98 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 65484996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).