4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol

C15H11BrN2O — CID 838850

IUPAC4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H11BrN2O/c16-11-6-7-15(19)12(8-11)14-9-13(17-18-14)10-4-2-1-3-5-10/h1-9,19H,(H,17,18)
InChIKeyFGHRPNUFUMDZNL-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.21
Rot. Bonds2

About 4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol

4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol (PubChem CID 838850) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol
PubChem CID838850
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H11BrN2O/c16-11-6-7-15(19)12(8-11)14-9-13(17-18-14)10-4-2-1-3-5-10/h1-9,19H,(H,17,18)
InChIKeyFGHRPNUFUMDZNL-UHFFFAOYSA-N
XLogP4.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
4-Bromo-2-(1H-pyrazol-3-yl)phenol
CID 838844
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
3-(5-Bromo-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 135423284
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
CID 699643
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-phenol
CID 759784
2-[5-(4-tert-Butyl-phenyl)-1H-pyrazol-3-yl]-phenol
CID 775984
5-Methyl-2-(5-p-tolyl-1H-pyrazol-3-yl)-phenol
CID 775990
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
4-bromo-2-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenol
CID 932600

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The IUPAC name of 4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol (CID 838850) is 4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol is Oc1ccc(Br)cc1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The InChIKey is FGHRPNUFUMDZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-11-6-7-15(19)12(8-11)14-9-13(17-18-14)10-4-2-1-3-5-10/h1-9,19H,(H,17,18).
What are the key properties of 4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol has a molecular weight of 315.17 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-phenyl-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 838850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).