5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C5H5BrF3N3 — CID 154881718

IUPAC5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1cc(Br)n(CC(F)(F)F)n1
InChIInChI=1S/C5H5BrF3N3/c6-3-1-4(10)11-12(3)2-5(7,8)9/h1H,2H2,(H2,10,11)
InChIKeyRZCLYNBIGGHSBL-UHFFFAOYSA-N
MW244.01 g/mol
LogP1.79
Rot. Bonds1

About 5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 154881718) has the molecular formula C5H5BrF3N3 and a molecular weight of 244.01 g/mol. Its IUPAC name is 5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID154881718
Molecular FormulaC5H5BrF3N3
Molecular Weight244.01 g/mol
Exact Mass242.96
IUPAC Name5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1cc(Br)n(CC(F)(F)F)n1
InChIInChI=1S/C5H5BrF3N3/c6-3-1-4(10)11-12(3)2-5(7,8)9/h1H,2H2,(H2,10,11)
InChIKeyRZCLYNBIGGHSBL-UHFFFAOYSA-N
XLogP1.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.01
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 154881718) is 5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is Nc1cc(Br)n(CC(F)(F)F)n1.
What is the InChIKey of 5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is RZCLYNBIGGHSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF3N3/c6-3-1-4(10)11-12(3)2-5(7,8)9/h1H,2H2,(H2,10,11).
What are the key properties of 5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 244.01 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 154881718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).