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

C14H12BrN3O — CID 103128491

IUPAC2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
SMILESOC(Cc1ccccc1Br)c1cnn2ccncc12
InChIInChI=1S/C14H12BrN3O/c15-12-4-2-1-3-10(12)7-14(19)11-8-17-18-6-5-16-9-13(11)18/h1-6,8-9,14,19H,7H2
InChIKeyZYZINMCTSUZIHD-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.77
Rot. Bonds3

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

2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol (PubChem CID 103128491) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
PubChem CID103128491
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
SMILESOC(Cc1ccccc1Br)c1cnn2ccncc12
InChIInChI=1S/C14H12BrN3O/c15-12-4-2-1-3-10(12)7-14(19)11-8-17-18-6-5-16-9-13(11)18/h1-6,8-9,14,19H,7H2
InChIKeyZYZINMCTSUZIHD-UHFFFAOYSA-N
XLogP2.77
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129126
2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129309
2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129064
2-(2-chlorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanol
CID 103128537
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103128870
2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103128980
naphthalen-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanamine
CID 103126924
1-benzofuran-2-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol
CID 103129234
[2-(4-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129414
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129067
2-(2-chlorophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126235
[2-(2,3-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129566

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol?
The IUPAC name of 2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol (CID 103128491) is 2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol is OC(Cc1ccccc1Br)c1cnn2ccncc12.
What is the InChIKey of 2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol?
The InChIKey is ZYZINMCTSUZIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-12-4-2-1-3-10(12)7-14(19)11-8-17-18-6-5-16-9-13(11)18/h1-6,8-9,14,19H,7H2.
What are the key properties of 2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol?
2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol has a molecular weight of 318.17 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol is sourced from PubChem (CID 103128491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).