2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol

C22H24N2O4 — CID 3576996

IUPAC2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
SMILESC=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OCC)c(O)c1
InChIInChI=1S/C22H24N2O4/c1-5-26-19-8-6-7-9-20(19)28-22-15(4)23-24-21(22)17-11-10-16(12-18(17)25)27-13-14(2)3/h6-12,25H,2,5,13H2,1,3-4H3,(H,23,24)
InChIKeyRNNRDHHGJUKRJF-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.24
Rot. Bonds8

About 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol

2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol (PubChem CID 3576996) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
PubChem CID3576996
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
SMILESC=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OCC)c(O)c1
InChIInChI=1S/C22H24N2O4/c1-5-26-19-8-6-7-9-20(19)28-22-15(4)23-24-21(22)17-11-10-16(12-18(17)25)27-13-14(2)3/h6-12,25H,2,5,13H2,1,3-4H3,(H,23,24)
InChIKeyRNNRDHHGJUKRJF-UHFFFAOYSA-N
XLogP5.24
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)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)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol?
The IUPAC name of 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol (CID 3576996) is 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol.
What is the SMILES notation for 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol?
The canonical SMILES for 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol is C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OCC)c(O)c1.
What is the InChIKey of 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol?
The InChIKey is RNNRDHHGJUKRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-5-26-19-8-6-7-9-20(19)28-22-15(4)23-24-21(22)17-11-10-16(12-18(17)25)27-13-14(2)3/h6-12,25H,2,5,13H2,1,3-4H3,(H,23,24).
What are the key properties of 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol?
2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol has a molecular weight of 380.44 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol is sourced from PubChem (CID 3576996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).