3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol

C25H20N2O2 — CID 71416893

IUPAC3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol
SMILESOc1cccc(C=Cc2cc(C=Cc3cccc(O)c3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C25H20N2O2/c28-24-10-4-6-19(16-24)12-14-21-18-23(15-13-20-7-5-11-25(29)17-20)27(26-21)22-8-2-1-3-9-22/h1-18,28-29H
InChIKeyJPURBBPBKKKGCS-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.62
Rot. Bonds5

About 3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol

3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol (PubChem CID 71416893) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol.

Molecular Properties

Compound Name3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol
PubChem CID71416893
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol
SMILESOc1cccc(C=Cc2cc(C=Cc3cccc(O)c3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C25H20N2O2/c28-24-10-4-6-19(16-24)12-14-21-18-23(15-13-20-7-5-11-25(29)17-20)27(26-21)22-8-2-1-3-9-22/h1-18,28-29H
InChIKeyJPURBBPBKKKGCS-UHFFFAOYSA-N
XLogP5.62
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol?
The IUPAC name of 3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol (CID 71416893) is 3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol.
What is the SMILES notation for 3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol?
The canonical SMILES for 3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol is Oc1cccc(C=Cc2cc(C=Cc3cccc(O)c3)n(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol?
The InChIKey is JPURBBPBKKKGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-24-10-4-6-19(16-24)12-14-21-18-23(15-13-20-7-5-11-25(29)17-20)27(26-21)22-8-2-1-3-9-22/h1-18,28-29H.
What are the key properties of 3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol?
3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol has a molecular weight of 380.45 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol is sourced from PubChem (CID 71416893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).