2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol

C15H11BrN2O — CID 776047

IUPAC2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(-c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C15H11BrN2O/c16-11-5-3-4-10(8-11)13-9-14(18-17-13)12-6-1-2-7-15(12)19/h1-9,19H,(H,17,18)
InChIKeyFGHOGCHUXQGOKD-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.21
Rot. Bonds2

About 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol

2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 776047) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol
PubChem CID776047
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(-c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C15H11BrN2O/c16-11-5-3-4-10(8-11)13-9-14(18-17-13)12-6-1-2-7-15(12)19/h1-9,19H,(H,17,18)
InChIKeyFGHOGCHUXQGOKD-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol (CID 776047) is 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol is Oc1ccccc1-c1cc(-c2cccc(Br)c2)n[nH]1.
What is the InChIKey of 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is FGHOGCHUXQGOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-11-5-3-4-10(8-11)13-9-14(18-17-13)12-6-1-2-7-15(12)19/h1-9,19H,(H,17,18).
What are the key properties of 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol?
2-[3-(3-bromophenyl)-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 2-[3-(3-bromophenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 776047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).