4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol

C20H17ClN2O2 — CID 173113837

IUPAC4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(C=Cc2cc(/C=C/c3ccc(Cl)cc3)[nH]n2)ccc1O
InChIInChI=1S/C20H17ClN2O2/c1-25-20-12-15(6-11-19(20)24)5-10-18-13-17(22-23-18)9-4-14-2-7-16(21)8-3-14/h2-13,24H,1H3,(H,22,23)/b9-4+,10-5?
InChIKeyIZCKTWCFIHMTFY-KWBNEJDUSA-N
MW352.82 g/mol
LogP5.12
Rot. Bonds5

About 4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol

4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol (PubChem CID 173113837) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol
PubChem CID173113837
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(C=Cc2cc(/C=C/c3ccc(Cl)cc3)[nH]n2)ccc1O
InChIInChI=1S/C20H17ClN2O2/c1-25-20-12-15(6-11-19(20)24)5-10-18-13-17(22-23-18)9-4-14-2-7-16(21)8-3-14/h2-13,24H,1H3,(H,22,23)/b9-4+,10-5?
InChIKeyIZCKTWCFIHMTFY-KWBNEJDUSA-N
XLogP5.12
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol
CID 135453214
4-[(E)-2-[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol
CID 135453075
4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol
CID 142077434
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
(1E,6E)-1-(4-chlorophenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68554597
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol
CID 135923992
(E)-1-(4-chloro-2-hydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 122187514
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
2-methoxy-4-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
CID 91447889
2-methoxy-4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenol
CID 87643228
1-(2,4-dichlorophenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68550268

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol (CID 173113837) is 4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol is COc1cc(C=Cc2cc(/C=C/c3ccc(Cl)cc3)[nH]n2)ccc1O.
What is the InChIKey of 4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol?
The InChIKey is IZCKTWCFIHMTFY-KWBNEJDUSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-25-20-12-15(6-11-19(20)24)5-10-18-13-17(22-23-18)9-4-14-2-7-16(21)8-3-14/h2-13,24H,1H3,(H,22,23)/b9-4+,10-5?.
What are the key properties of 4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol?
4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol has a molecular weight of 352.82 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 173113837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).