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

C18H17FN2O3 — CID 730746

IUPAC5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C18H17FN2O3/c1-3-23-14-8-9-15(16(22)10-14)17-18(11(2)20-21-17)24-13-6-4-12(19)5-7-13/h4-10,22H,3H2,1-2H3,(H,20,21)
InChIKeyQMLHLGNSIVKBDE-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.42
Rot. Bonds5

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

5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol (PubChem CID 730746) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
PubChem CID730746
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C18H17FN2O3/c1-3-23-14-8-9-15(16(22)10-14)17-18(11(2)20-21-17)24-13-6-4-12(19)5-7-13/h4-10,22H,3H2,1-2H3,(H,20,21)
InChIKeyQMLHLGNSIVKBDE-UHFFFAOYSA-N
XLogP4.42
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol (CID 730746) is 5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol is CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
The InChIKey is QMLHLGNSIVKBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-3-23-14-8-9-15(16(22)10-14)17-18(11(2)20-21-17)24-13-6-4-12(19)5-7-13/h4-10,22H,3H2,1-2H3,(H,20,21).
What are the key properties of 5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol?
5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol has a molecular weight of 328.34 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[4-(4-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 730746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).