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

C10H7BrF3N3 — CID 55062140

IUPAC4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1nn(-c2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C10H7BrF3N3/c11-7-5-17(16-9(7)15)8-4-2-1-3-6(8)10(12,13)14/h1-5H,(H2,15,16)
InChIKeyBMCBAKXPYQRNBI-UHFFFAOYSA-N
MW306.09 g/mol
LogP3.24
Rot. Bonds1

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

4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine (PubChem CID 55062140) has the molecular formula C10H7BrF3N3 and a molecular weight of 306.09 g/mol. Its IUPAC name is 4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
PubChem CID55062140
Molecular FormulaC10H7BrF3N3
Molecular Weight306.09 g/mol
Exact Mass304.98
IUPAC Name4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1nn(-c2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C10H7BrF3N3/c11-7-5-17(16-9(7)15)8-4-2-1-3-6(8)10(12,13)14/h1-5H,(H2,15,16)
InChIKeyBMCBAKXPYQRNBI-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine (CID 55062140) is 4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine is Nc1nn(-c2ccccc2C(F)(F)F)cc1Br.
What is the InChIKey of 4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine?
The InChIKey is BMCBAKXPYQRNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3/c11-7-5-17(16-9(7)15)8-4-2-1-3-6(8)10(12,13)14/h1-5H,(H2,15,16).
What are the key properties of 4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine?
4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine has a molecular weight of 306.09 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 55062140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).