4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol

C15H10BrClN2O — CID 932600

IUPAC4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H10BrClN2O/c16-10-3-6-15(20)12(7-10)14-8-13(18-19-14)9-1-4-11(17)5-2-9/h1-8,20H,(H,18,19)
InChIKeyYLNHOUUJLKNPFC-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.87
Rot. Bonds2

About 4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol

4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 932600) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
PubChem CID932600
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H10BrClN2O/c16-10-3-6-15(20)12(7-10)14-8-13(18-19-14)9-1-4-11(17)5-2-9/h1-8,20H,(H,18,19)
InChIKeyYLNHOUUJLKNPFC-UHFFFAOYSA-N
XLogP4.87
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol (CID 932600) is 4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol is Oc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is YLNHOUUJLKNPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-10-3-6-15(20)12(7-10)14-8-13(18-19-14)9-1-4-11(17)5-2-9/h1-8,20H,(H,18,19).
What are the key properties of 4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol?
4-bromo-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 349.62 g/mol, XLogP of 4.87, 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-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 932600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).