(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine

C11H11BrFN3 — CID 63369135

IUPAC(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1-n1cc(Br)cn1
InChIInChI=1S/C11H11BrFN3/c1-7(14)10-4-9(13)2-3-11(10)16-6-8(12)5-15-16/h2-7H,14H2,1H3/t7-/m1/s1
InChIKeyORFPBSFOQNCEQB-SSDOTTSWSA-N
MW284.13 g/mol
LogP2.79
Rot. Bonds2

About (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine

(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine (PubChem CID 63369135) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine
PubChem CID63369135
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1-n1cc(Br)cn1
InChIInChI=1S/C11H11BrFN3/c1-7(14)10-4-9(13)2-3-11(10)16-6-8(12)5-15-16/h2-7H,14H2,1H3/t7-/m1/s1
InChIKeyORFPBSFOQNCEQB-SSDOTTSWSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine (CID 63369135) is (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine is C[C@@H](N)c1cc(F)ccc1-n1cc(Br)cn1.
What is the InChIKey of (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine?
The InChIKey is ORFPBSFOQNCEQB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-7(14)10-4-9(13)2-3-11(10)16-6-8(12)5-15-16/h2-7H,14H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine?
(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine has a molecular weight of 284.13 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 63369135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).