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

C16H20N2O2 — CID 142077434

IUPAC4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol
SMILESCCCCc1cc(/C=C/c2ccc(O)c(OC)c2)n[nH]1
InChIInChI=1S/C16H20N2O2/c1-3-4-5-13-11-14(18-17-13)8-6-12-7-9-15(19)16(10-12)20-2/h6-11,19H,3-5H2,1-2H3,(H,17,18)/b8-6+
InChIKeyGLWBLJLRPBUXDW-SOFGYWHQSA-N
MW272.35 g/mol
LogP3.64
Rot. Bonds6

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

4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol (PubChem CID 142077434) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol
PubChem CID142077434
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol
SMILESCCCCc1cc(/C=C/c2ccc(O)c(OC)c2)n[nH]1
InChIInChI=1S/C16H20N2O2/c1-3-4-5-13-11-14(18-17-13)8-6-12-7-9-15(19)16(10-12)20-2/h6-11,19H,3-5H2,1-2H3,(H,17,18)/b8-6+
InChIKeyGLWBLJLRPBUXDW-SOFGYWHQSA-N
XLogP3.64
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.64
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-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol
CID 173113837
4-[(E)-2-[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol
CID 135453075
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
pentadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11407056
octadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5320256
pentacosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 163044714
nonadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 101186931
icosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6440080
4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol
CID 14578497
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol
CID 135923992

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol (CID 142077434) is 4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol is CCCCc1cc(/C=C/c2ccc(O)c(OC)c2)n[nH]1.
What is the InChIKey of 4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol?
The InChIKey is GLWBLJLRPBUXDW-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-4-5-13-11-14(18-17-13)8-6-12-7-9-15(19)16(10-12)20-2/h6-11,19H,3-5H2,1-2H3,(H,17,18)/b8-6+.
What are the key properties of 4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol?
4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol has a molecular weight of 272.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol is sourced from PubChem (CID 142077434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).