3-(5-bromopyrazol-1-yl)phenol

C9H7BrN2O — CID 84701027

IUPAC3-(5-bromopyrazol-1-yl)phenol
SMILESOc1cccc(-n2nccc2Br)c1
InChIInChI=1S/C9H7BrN2O/c10-9-4-5-11-12(9)7-2-1-3-8(13)6-7/h1-6,13H
InChIKeyZCZGQZDFKBKKNL-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.34
Rot. Bonds1

About 3-(5-bromopyrazol-1-yl)phenol

3-(5-bromopyrazol-1-yl)phenol (PubChem CID 84701027) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 3-(5-bromopyrazol-1-yl)phenol.

Molecular Properties

Compound Name3-(5-bromopyrazol-1-yl)phenol
PubChem CID84701027
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name3-(5-bromopyrazol-1-yl)phenol
SMILESOc1cccc(-n2nccc2Br)c1
InChIInChI=1S/C9H7BrN2O/c10-9-4-5-11-12(9)7-2-1-3-8(13)6-7/h1-6,13H
InChIKeyZCZGQZDFKBKKNL-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(3-methoxyphenyl)pyrazole
CID 112693887
3-(5-propan-2-ylpyrazol-1-yl)phenol
CID 84776764
5-bromo-1-(4-bromophenyl)pyrazole
CID 79020245
3-(4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)phenol
CID 84647155
2-(3-bromophenyl)pyrazole-3-carboxylic acid
CID 83740815
3-(5-aminotriazol-1-yl)phenol
CID 105436385
benzene-1,3-diol;tris(yttrium)
CID 23386139
3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol
CID 137001434
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
5-bromo-1-(4-methoxyphenyl)pyrazole
CID 79020309
3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
CID 83864512
3-(3-hydroxyphenyl)triazole-4-carbaldehyde
CID 82363674

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrazol-1-yl)phenol?
The IUPAC name of 3-(5-bromopyrazol-1-yl)phenol (CID 84701027) is 3-(5-bromopyrazol-1-yl)phenol.
What is the SMILES notation for 3-(5-bromopyrazol-1-yl)phenol?
The canonical SMILES for 3-(5-bromopyrazol-1-yl)phenol is Oc1cccc(-n2nccc2Br)c1.
What is the InChIKey of 3-(5-bromopyrazol-1-yl)phenol?
The InChIKey is ZCZGQZDFKBKKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-9-4-5-11-12(9)7-2-1-3-8(13)6-7/h1-6,13H.
What are the key properties of 3-(5-bromopyrazol-1-yl)phenol?
3-(5-bromopyrazol-1-yl)phenol has a molecular weight of 239.07 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrazol-1-yl)phenol is sourced from PubChem (CID 84701027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).