3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

C8H11BrF3N3 — CID 19618119

IUPAC3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCc1c(Br)c(C(F)(F)F)nn1CCCN
InChIInChI=1S/C8H11BrF3N3/c1-5-6(9)7(8(10,11)12)14-15(5)4-2-3-13/h2-4,13H2,1H3
InChIKeyNFWHBQPFPBUECU-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.32
Rot. Bonds3

About 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (PubChem CID 19618119) has the molecular formula C8H11BrF3N3 and a molecular weight of 286.10 g/mol. Its IUPAC name is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
PubChem CID19618119
Molecular FormulaC8H11BrF3N3
Molecular Weight286.10 g/mol
Exact Mass285.01
IUPAC Name3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCc1c(Br)c(C(F)(F)F)nn1CCCN
InChIInChI=1S/C8H11BrF3N3/c1-5-6(9)7(8(10,11)12)14-15(5)4-2-3-13/h2-4,13H2,1H3
InChIKeyNFWHBQPFPBUECU-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (CID 19618119) is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is Cc1c(Br)c(C(F)(F)F)nn1CCCN.
What is the InChIKey of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is NFWHBQPFPBUECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrF3N3/c1-5-6(9)7(8(10,11)12)14-15(5)4-2-3-13/h2-4,13H2,1H3.
What are the key properties of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 286.10 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 19618119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).