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

C14H11BrFN3O — CID 103129064

IUPAC2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cnn2ccncc12
InChIInChI=1S/C14H11BrFN3O/c15-10-3-9(4-11(16)6-10)5-14(20)12-7-18-19-2-1-17-8-13(12)19/h1-4,6-8,14,20H,5H2
InChIKeyBYBLFTWVTMFMPG-UHFFFAOYSA-N
MW336.16 g/mol
LogP2.91
Rot. Bonds3

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

2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol (PubChem CID 103129064) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
PubChem CID103129064
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cnn2ccncc12
InChIInChI=1S/C14H11BrFN3O/c15-10-3-9(4-11(16)6-10)5-14(20)12-7-18-19-2-1-17-8-13(12)19/h1-4,6-8,14,20H,5H2
InChIKeyBYBLFTWVTMFMPG-UHFFFAOYSA-N
XLogP2.91
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103128392
2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129309
2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103128491
2-(2,6-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129126
2-(4-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126754
[2-(4-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129414
2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126629
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103128870
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
CID 103126944
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129067
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol (CID 103129064) is 2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol is OC(Cc1cc(F)cc(Br)c1)c1cnn2ccncc12.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol?
The InChIKey is BYBLFTWVTMFMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c15-10-3-9(4-11(16)6-10)5-14(20)12-7-18-19-2-1-17-8-13(12)19/h1-4,6-8,14,20H,5H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol?
2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol has a molecular weight of 336.16 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol is sourced from PubChem (CID 103129064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).