1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine

C12H19BrF3N3 — CID 79953586

IUPAC1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine
SMILESCCc1nn(CC)c(CC(N)CCC(F)(F)F)c1Br
InChIInChI=1S/C12H19BrF3N3/c1-3-9-11(13)10(19(4-2)18-9)7-8(17)5-6-12(14,15)16/h8H,3-7,17H2,1-2H3
InChIKeyUBVLNPMKHZWNOF-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine

1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine (PubChem CID 79953586) has the molecular formula C12H19BrF3N3 and a molecular weight of 342.20 g/mol. Its IUPAC name is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine
PubChem CID79953586
Molecular FormulaC12H19BrF3N3
Molecular Weight342.20 g/mol
Exact Mass341.07
IUPAC Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine
SMILESCCc1nn(CC)c(CC(N)CCC(F)(F)F)c1Br
InChIInChI=1S/C12H19BrF3N3/c1-3-9-11(13)10(19(4-2)18-9)7-8(17)5-6-12(14,15)16/h8H,3-7,17H2,1-2H3
InChIKeyUBVLNPMKHZWNOF-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine 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 1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine (CID 79953586) is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine is CCc1nn(CC)c(CC(N)CCC(F)(F)F)c1Br.
What is the InChIKey of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine?
The InChIKey is UBVLNPMKHZWNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrF3N3/c1-3-9-11(13)10(19(4-2)18-9)7-8(17)5-6-12(14,15)16/h8H,3-7,17H2,1-2H3.
What are the key properties of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine?
1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine has a molecular weight of 342.20 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 79953586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).