2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol

C23H19BrN2O2 — CID 3815288

IUPAC2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol
SMILESCOc1ccccc1Cn1nc(-c2ccc(Br)cc2)cc1-c1ccccc1O
InChIInChI=1S/C23H19BrN2O2/c1-28-23-9-5-2-6-17(23)15-26-21(19-7-3-4-8-22(19)27)14-20(25-26)16-10-12-18(24)13-11-16/h2-14,27H,15H2,1H3
InChIKeyWMQVNDOYZKRRNR-UHFFFAOYSA-N
MW435.32 g/mol
LogP5.74
Rot. Bonds5

About 2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol

2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol (PubChem CID 3815288) has the molecular formula C23H19BrN2O2 and a molecular weight of 435.32 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol
PubChem CID3815288
Molecular FormulaC23H19BrN2O2
Molecular Weight435.32 g/mol
Exact Mass434.06
IUPAC Name2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol
SMILESCOc1ccccc1Cn1nc(-c2ccc(Br)cc2)cc1-c1ccccc1O
InChIInChI=1S/C23H19BrN2O2/c1-28-23-9-5-2-6-17(23)15-26-21(19-7-3-4-8-22(19)27)14-20(25-26)16-10-12-18(24)13-11-16/h2-14,27H,15H2,1H3
InChIKeyWMQVNDOYZKRRNR-UHFFFAOYSA-N
XLogP5.74
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol?
The IUPAC name of 2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol (CID 3815288) is 2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol is COc1ccccc1Cn1nc(-c2ccc(Br)cc2)cc1-c1ccccc1O.
What is the InChIKey of 2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol?
The InChIKey is WMQVNDOYZKRRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O2/c1-28-23-9-5-2-6-17(23)15-26-21(19-7-3-4-8-22(19)27)14-20(25-26)16-10-12-18(24)13-11-16/h2-14,27H,15H2,1H3.
What are the key properties of 2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol?
2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol has a molecular weight of 435.32 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-5-yl]phenol is sourced from PubChem (CID 3815288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).