1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine

C12H13BrFN3 — CID 114066108

IUPAC1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1c(F)cccc1-n1cc(Br)cn1
InChIInChI=1S/C12H13BrFN3/c1-8(15)5-10-11(14)3-2-4-12(10)17-7-9(13)6-16-17/h2-4,6-8H,5,15H2,1H3
InChIKeyGAFYHTQDYOLHEU-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine

1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine (PubChem CID 114066108) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine
PubChem CID114066108
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1c(F)cccc1-n1cc(Br)cn1
InChIInChI=1S/C12H13BrFN3/c1-8(15)5-10-11(14)3-2-4-12(10)17-7-9(13)6-16-17/h2-4,6-8H,5,15H2,1H3
InChIKeyGAFYHTQDYOLHEU-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]butan-2-amine
CID 114066107
[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]methanamine
CID 79516871
1-[4-(4-bromopyrazol-1-yl)-3-fluorophenyl]propan-2-amine
CID 63815553
1-[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63815908
1-[1-(2-chlorophenyl)pyrazol-4-yl]propan-2-amine
CID 83896850
(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine
CID 63369135
1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine
CID 114066098
1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 82968622
1-[3-bromo-4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 62910663
1-(2-bromo-3,6-difluorophenyl)propan-2-amine
CID 127010991
1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678321
[3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine
CID 84712527

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine (CID 114066108) is 1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine is CC(N)Cc1c(F)cccc1-n1cc(Br)cn1.
What is the InChIKey of 1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine?
The InChIKey is GAFYHTQDYOLHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-8(15)5-10-11(14)3-2-4-12(10)17-7-9(13)6-16-17/h2-4,6-8H,5,15H2,1H3.
What are the key properties of 1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine?
1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine has a molecular weight of 298.16 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine is sourced from PubChem (CID 114066108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).