2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

C14H12BrFN4 — CID 103126629

IUPAC2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESNC(Cc1cc(Br)ccc1F)c1cnn2ccncc12
InChIInChI=1S/C14H12BrFN4/c15-10-1-2-12(16)9(5-10)6-13(17)11-7-19-20-4-3-18-8-14(11)20/h1-5,7-8,13H,6,17H2
InChIKeyXSQTZBHFIAJHKN-UHFFFAOYSA-N
MW335.18 g/mol
LogP2.87
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (PubChem CID 103126629) has the molecular formula C14H12BrFN4 and a molecular weight of 335.18 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
PubChem CID103126629
Molecular FormulaC14H12BrFN4
Molecular Weight335.18 g/mol
Exact Mass334.02
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESNC(Cc1cc(Br)ccc1F)c1cnn2ccncc12
InChIInChI=1S/C14H12BrFN4/c15-10-1-2-12(16)9(5-10)6-13(17)11-7-19-20-4-3-18-8-14(11)20/h1-5,7-8,13H,6,17H2
InChIKeyXSQTZBHFIAJHKN-UHFFFAOYSA-N
XLogP2.87
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126754
[(5-bromo-2-fluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]hydrazine
CID 103129826
2-(3,5-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103128392
2-(5-chloro-2-fluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103128470
2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126337
1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103125780
1-pyrazolo[1,5-a]pyrazin-3-yl-2-pyridin-2-ylethanamine
CID 103127478
[2-(4-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129414
2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103128151
2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129064
[2-(2,3-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129566
1-(3-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanamine
CID 107952664

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (CID 103126629) is 2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is NC(Cc1cc(Br)ccc1F)c1cnn2ccncc12.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The InChIKey is XSQTZBHFIAJHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4/c15-10-1-2-12(16)9(5-10)6-13(17)11-7-19-20-4-3-18-8-14(11)20/h1-5,7-8,13H,6,17H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine has a molecular weight of 335.18 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is sourced from PubChem (CID 103126629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).