2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol

C13H14N2O2 — CID 70442249

IUPAC2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol
SMILESCOc1c(O)cccc1C=Cc1cn[nH]c1C
InChIInChI=1S/C13H14N2O2/c1-9-11(8-14-15-9)7-6-10-4-3-5-12(16)13(10)17-2/h3-8,16H,1-2H3,(H,14,15)
InChIKeyGCAUGTPKEOSXMC-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.60
Rot. Bonds3

About 2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol

2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol (PubChem CID 70442249) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol
PubChem CID70442249
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol
SMILESCOc1c(O)cccc1C=Cc1cn[nH]c1C
InChIInChI=1S/C13H14N2O2/c1-9-11(8-14-15-9)7-6-10-4-3-5-12(16)13(10)17-2/h3-8,16H,1-2H3,(H,14,15)
InChIKeyGCAUGTPKEOSXMC-UHFFFAOYSA-N
XLogP2.60
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol?
The IUPAC name of 2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol (CID 70442249) is 2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol.
What is the SMILES notation for 2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol?
The canonical SMILES for 2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol is COc1c(O)cccc1C=Cc1cn[nH]c1C.
What is the InChIKey of 2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol?
The InChIKey is GCAUGTPKEOSXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-11(8-14-15-9)7-6-10-4-3-5-12(16)13(10)17-2/h3-8,16H,1-2H3,(H,14,15).
What are the key properties of 2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol?
2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol has a molecular weight of 230.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]phenol is sourced from PubChem (CID 70442249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).