2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol

C20H20N2O4 — CID 664025

IUPAC2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol
SMILESC=C(C)COc1ccc(-c2[nH]ncc2Oc2ccccc2OC)c(O)c1
InChIInChI=1S/C20H20N2O4/c1-13(2)12-25-14-8-9-15(16(23)10-14)20-19(11-21-22-20)26-18-7-5-4-6-17(18)24-3/h4-11,23H,1,12H2,2-3H3,(H,21,22)
InChIKeyMENVPFREXUPMCN-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.54
Rot. Bonds7

About 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol

2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol (PubChem CID 664025) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol.

Molecular Properties

Compound Name2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol
PubChem CID664025
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol
SMILESC=C(C)COc1ccc(-c2[nH]ncc2Oc2ccccc2OC)c(O)c1
InChIInChI=1S/C20H20N2O4/c1-13(2)12-25-14-8-9-15(16(23)10-14)20-19(11-21-22-20)26-18-7-5-4-6-17(18)24-3/h4-11,23H,1,12H2,2-3H3,(H,21,22)
InChIKeyMENVPFREXUPMCN-UHFFFAOYSA-N
XLogP4.54
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol?
The IUPAC name of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol (CID 664025) is 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol.
What is the SMILES notation for 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol?
The canonical SMILES for 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol is C=C(C)COc1ccc(-c2[nH]ncc2Oc2ccccc2OC)c(O)c1.
What is the InChIKey of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol?
The InChIKey is MENVPFREXUPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(2)12-25-14-8-9-15(16(23)10-14)20-19(11-21-22-20)26-18-7-5-4-6-17(18)24-3/h4-11,23H,1,12H2,2-3H3,(H,21,22).
What are the key properties of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol?
2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol has a molecular weight of 352.39 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enoxy)phenol is sourced from PubChem (CID 664025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).