5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol

C19H20N2O4 — CID 664959

IUPAC5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H20N2O4/c1-4-24-15-9-10-16(17(22)11-15)18-19(12(2)20-21-18)25-14-7-5-13(23-3)6-8-14/h5-11,22H,4H2,1-3H3,(H,20,21)
InChIKeyRLECCWRYKOQKCK-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.29
Rot. Bonds6

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

5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol (PubChem CID 664959) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
PubChem CID664959
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C19H20N2O4/c1-4-24-15-9-10-16(17(22)11-15)18-19(12(2)20-21-18)25-14-7-5-13(23-3)6-8-14/h5-11,22H,4H2,1-3H3,(H,20,21)
InChIKeyRLECCWRYKOQKCK-UHFFFAOYSA-N
XLogP4.29
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.29
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-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol (CID 664959) is 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol is CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(OC)cc2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
The InChIKey is RLECCWRYKOQKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-24-15-9-10-16(17(22)11-15)18-19(12(2)20-21-18)25-14-7-5-13(23-3)6-8-14/h5-11,22H,4H2,1-3H3,(H,20,21).
What are the key properties of 5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol has a molecular weight of 340.38 g/mol, XLogP of 4.29, 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-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 664959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).