4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine

C9H13BrF3N3 — CID 116535093

IUPAC4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
SMILESCC(CCCC(F)(F)F)n1ncc(Br)c1N
InChIInChI=1S/C9H13BrF3N3/c1-6(3-2-4-9(11,12)13)16-8(14)7(10)5-15-16/h5-6H,2-4,14H2,1H3
InChIKeyCIHXSCBNEMZPGY-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.52
Rot. Bonds4

About 4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine

4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine (PubChem CID 116535093) has the molecular formula C9H13BrF3N3 and a molecular weight of 300.12 g/mol. Its IUPAC name is 4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
PubChem CID116535093
Molecular FormulaC9H13BrF3N3
Molecular Weight300.12 g/mol
Exact Mass299.02
IUPAC Name4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
SMILESCC(CCCC(F)(F)F)n1ncc(Br)c1N
InChIInChI=1S/C9H13BrF3N3/c1-6(3-2-4-9(11,12)13)16-8(14)7(10)5-15-16/h5-6H,2-4,14H2,1H3
InChIKeyCIHXSCBNEMZPGY-UHFFFAOYSA-N
XLogP3.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromo-1-methyl-1H-pyrazol-5-amine
CID 600351
4-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19619546
4-bromo-1-cyclopropyl-1H-pyrazol-5-amine
CID 83382905
4-bromo-1-cyclohexyl-1H-pyrazol-3-amine
CID 61177536
4-bromo-1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-5-amine
CID 64754280
4-fluoro-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 177801217
4-bromo-1-(difluoromethyl)-1H-pyrazol-3-amine
CID 62900922
1-Pentyl-4-(trifluoromethyl)pyrazol-5-amine
CID 70407205
1-(4,4-difluorocyclohexyl)-1H-pyrazol-5-amine
CID 84733810
4-bromo-1-(difluoromethyl)-1H-pyrazol-5-amine
CID 154881945
4-Methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine
CID 177155519
4-Bromo-1-(2,2,3,3-tetrafluoropropyl)-1H-pyrazol-3-amine
CID 19622833

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine?
The IUPAC name of 4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine (CID 116535093) is 4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine is CC(CCCC(F)(F)F)n1ncc(Br)c1N.
What is the InChIKey of 4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine?
The InChIKey is CIHXSCBNEMZPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrF3N3/c1-6(3-2-4-9(11,12)13)16-8(14)7(10)5-15-16/h5-6H,2-4,14H2,1H3.
What are the key properties of 4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine?
4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine has a molecular weight of 300.12 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 116535093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).