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

C18H18N2O4 — CID 664475

IUPAC5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCCOc1ccc(-c2[nH]ncc2Oc2ccccc2OC)c(O)c1
InChIInChI=1S/C18H18N2O4/c1-3-23-12-8-9-13(14(21)10-12)18-17(11-19-20-18)24-16-7-5-4-6-15(16)22-2/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKeyAKAMRQYSHRYEKH-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.98
Rot. Bonds6

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

5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol (PubChem CID 664475) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
PubChem CID664475
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCCOc1ccc(-c2[nH]ncc2Oc2ccccc2OC)c(O)c1
InChIInChI=1S/C18H18N2O4/c1-3-23-12-8-9-13(14(21)10-12)18-17(11-19-20-18)24-16-7-5-4-6-15(16)22-2/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKeyAKAMRQYSHRYEKH-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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol (CID 664475) is 5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol is CCOc1ccc(-c2[nH]ncc2Oc2ccccc2OC)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol?
The InChIKey is AKAMRQYSHRYEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-23-12-8-9-13(14(21)10-12)18-17(11-19-20-18)24-16-7-5-4-6-15(16)22-2/h4-11,21H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol?
5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol 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 5-ethoxy-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 664475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).