2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol

C17H15ClN2O2 — CID 716169

IUPAC2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2[nH]ncc2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C17H15ClN2O2/c1-2-22-13-7-8-14(16(21)9-13)17-15(10-19-20-17)11-3-5-12(18)6-4-11/h3-10,21H,2H2,1H3,(H,19,20)
InChIKeySYQLUJFPFXBQCC-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.50
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol

2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol (PubChem CID 716169) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
PubChem CID716169
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2[nH]ncc2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C17H15ClN2O2/c1-2-22-13-7-8-14(16(21)9-13)17-15(10-19-20-17)11-3-5-12(18)6-4-11/h3-10,21H,2H2,1H3,(H,19,20)
InChIKeySYQLUJFPFXBQCC-UHFFFAOYSA-N
XLogP4.50
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol 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-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The IUPAC name of 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol (CID 716169) is 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol is CCOc1ccc(-c2[nH]ncc2-c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
The InChIKey is SYQLUJFPFXBQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-22-13-7-8-14(16(21)9-13)17-15(10-19-20-17)11-3-5-12(18)6-4-11/h3-10,21H,2H2,1H3,(H,19,20).
What are the key properties of 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol?
2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol has a molecular weight of 314.77 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol is sourced from PubChem (CID 716169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).