2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol

C18H18N2O4 — CID 664777

IUPAC2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol
SMILESCCOc1ccccc1Oc1cn[nH]c1-c1ccc(OC)cc1O
InChIInChI=1S/C18H18N2O4/c1-3-23-15-6-4-5-7-16(15)24-17-11-19-20-18(17)13-9-8-12(22-2)10-14(13)21/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKeyCHQAOSNURCRNFE-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.98
Rot. Bonds6

About 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol

2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol (PubChem CID 664777) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol
PubChem CID664777
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol
SMILESCCOc1ccccc1Oc1cn[nH]c1-c1ccc(OC)cc1O
InChIInChI=1S/C18H18N2O4/c1-3-23-15-6-4-5-7-16(15)24-17-11-19-20-18(17)13-9-8-12(22-2)10-14(13)21/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKeyCHQAOSNURCRNFE-UHFFFAOYSA-N
XLogP3.98
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol?
The IUPAC name of 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol (CID 664777) is 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol?
The canonical SMILES for 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol is CCOc1ccccc1Oc1cn[nH]c1-c1ccc(OC)cc1O.
What is the InChIKey of 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol?
The InChIKey is CHQAOSNURCRNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-23-15-6-4-5-7-16(15)24-17-11-19-20-18(17)13-9-8-12(22-2)10-14(13)21/h4-11,21H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol?
2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol has a molecular weight of 326.35 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol is sourced from PubChem (CID 664777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).