4-[3-(4-bromophenyl)pyrazol-1-yl]phenol

C15H11BrN2O — CID 57125137

IUPAC4-[3-(4-bromophenyl)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2ccc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-3-1-11(2-4-12)15-9-10-18(17-15)13-5-7-14(19)8-6-13/h1-10,19H
InChIKeySDRUWQVPGJAPHM-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.01
Rot. Bonds2

About 4-[3-(4-bromophenyl)pyrazol-1-yl]phenol

4-[3-(4-bromophenyl)pyrazol-1-yl]phenol (PubChem CID 57125137) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)pyrazol-1-yl]phenol
PubChem CID57125137
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name4-[3-(4-bromophenyl)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2ccc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-3-1-11(2-4-12)15-9-10-18(17-15)13-5-7-14(19)8-6-13/h1-10,19H
InChIKeySDRUWQVPGJAPHM-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-[3-(4-bromophenyl)pyrazol-1-yl]phenol?
The IUPAC name of 4-[3-(4-bromophenyl)pyrazol-1-yl]phenol (CID 57125137) is 4-[3-(4-bromophenyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 4-[3-(4-bromophenyl)pyrazol-1-yl]phenol?
The canonical SMILES for 4-[3-(4-bromophenyl)pyrazol-1-yl]phenol is Oc1ccc(-n2ccc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 4-[3-(4-bromophenyl)pyrazol-1-yl]phenol?
The InChIKey is SDRUWQVPGJAPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-3-1-11(2-4-12)15-9-10-18(17-15)13-5-7-14(19)8-6-13/h1-10,19H.
What are the key properties of 4-[3-(4-bromophenyl)pyrazol-1-yl]phenol?
4-[3-(4-bromophenyl)pyrazol-1-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-[3-(4-bromophenyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 57125137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).