4-bromo-2-(2-phenylpyrazol-3-yl)phenol

C15H11BrN2O — CID 838849

IUPAC4-bromo-2-(2-phenylpyrazol-3-yl)phenol
SMILESOc1ccc(Br)cc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C15H11BrN2O/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12/h1-10,19H
InChIKeyHCGKUKCQPZDMJD-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.01
Rot. Bonds2

About 4-bromo-2-(2-phenylpyrazol-3-yl)phenol

4-bromo-2-(2-phenylpyrazol-3-yl)phenol (PubChem CID 838849) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-bromo-2-(2-phenylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(2-phenylpyrazol-3-yl)phenol
PubChem CID838849
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name4-bromo-2-(2-phenylpyrazol-3-yl)phenol
SMILESOc1ccc(Br)cc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C15H11BrN2O/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12/h1-10,19H
InChIKeyHCGKUKCQPZDMJD-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-phenylpyrazol-3-yl)phenol?
The IUPAC name of 4-bromo-2-(2-phenylpyrazol-3-yl)phenol (CID 838849) is 4-bromo-2-(2-phenylpyrazol-3-yl)phenol.
What is the SMILES notation for 4-bromo-2-(2-phenylpyrazol-3-yl)phenol?
The canonical SMILES for 4-bromo-2-(2-phenylpyrazol-3-yl)phenol is Oc1ccc(Br)cc1-c1ccnn1-c1ccccc1.
What is the InChIKey of 4-bromo-2-(2-phenylpyrazol-3-yl)phenol?
The InChIKey is HCGKUKCQPZDMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12/h1-10,19H.
What are the key properties of 4-bromo-2-(2-phenylpyrazol-3-yl)phenol?
4-bromo-2-(2-phenylpyrazol-3-yl)phenol has a molecular weight of 315.17 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-phenylpyrazol-3-yl)phenol is sourced from PubChem (CID 838849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).