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

C15H10BrClN2O — CID 137095030

IUPAC5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol
SMILESOc1cc(Br)ccc1-c1ccnn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O/c16-10-1-6-13(15(20)9-10)14-7-8-18-19(14)12-4-2-11(17)3-5-12/h1-9,20H
InChIKeySKUQJGBVWNPWSI-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.66
Rot. Bonds2

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

5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol (PubChem CID 137095030) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol
PubChem CID137095030
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol
SMILESOc1cc(Br)ccc1-c1ccnn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O/c16-10-1-6-13(15(20)9-10)14-7-8-18-19(14)12-4-2-11(17)3-5-12/h1-9,20H
InChIKeySKUQJGBVWNPWSI-UHFFFAOYSA-N
XLogP4.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol?
The IUPAC name of 5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol (CID 137095030) is 5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol.
What is the SMILES notation for 5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol?
The canonical SMILES for 5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol is Oc1cc(Br)ccc1-c1ccnn1-c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol?
The InChIKey is SKUQJGBVWNPWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-10-1-6-13(15(20)9-10)14-7-8-18-19(14)12-4-2-11(17)3-5-12/h1-9,20H.
What are the key properties of 5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol?
5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol has a molecular weight of 349.62 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(4-chlorophenyl)pyrazol-3-yl]phenol is sourced from PubChem (CID 137095030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).