2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol

C25H24N2O5 — CID 135652150

IUPAC2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol
SMILESCCOc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccc(OC)cc2)cc1O
InChIInChI=1S/C25H24N2O5/c1-3-30-22-6-4-5-7-23(22)32-24-15-26-27-25(24)20-13-12-19(14-21(20)28)31-16-17-8-10-18(29-2)11-9-17/h4-15,28H,3,16H2,1-2H3,(H,26,27)
InChIKeyMIWRNPAHQDQRJJ-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.56
Rot. Bonds9

About 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol

2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol (PubChem CID 135652150) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol
PubChem CID135652150
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol
SMILESCCOc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccc(OC)cc2)cc1O
InChIInChI=1S/C25H24N2O5/c1-3-30-22-6-4-5-7-23(22)32-24-15-26-27-25(24)20-13-12-19(14-21(20)28)31-16-17-8-10-18(29-2)11-9-17/h4-15,28H,3,16H2,1-2H3,(H,26,27)
InChIKeyMIWRNPAHQDQRJJ-UHFFFAOYSA-N
XLogP5.56
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol 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-[(4-methoxyphenyl)methoxy]phenol?
The IUPAC name of 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol (CID 135652150) is 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol.
What is the SMILES notation for 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol?
The canonical SMILES for 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol is CCOc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccc(OC)cc2)cc1O.
What is the InChIKey of 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol?
The InChIKey is MIWRNPAHQDQRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-3-30-22-6-4-5-7-23(22)32-24-15-26-27-25(24)20-13-12-19(14-21(20)28)31-16-17-8-10-18(29-2)11-9-17/h4-15,28H,3,16H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol?
2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol has a molecular weight of 432.48 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]-5-[(4-methoxyphenyl)methoxy]phenol is sourced from PubChem (CID 135652150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).