4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol

C19H20N2O2 — CID 14578498

IUPAC4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol
SMILESOc1ccc(CCc2cc(CCc3ccc(O)cc3)[nH]n2)cc1
InChIInChI=1S/C19H20N2O2/c22-18-9-3-14(4-10-18)1-7-16-13-17(21-20-16)8-2-15-5-11-19(23)12-6-15/h3-6,9-13,22-23H,1-2,7-8H2,(H,20,21)
InChIKeySEUJPJQOQSNNGS-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.39
Rot. Bonds6

About 4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol

4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol (PubChem CID 14578498) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol
PubChem CID14578498
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol
SMILESOc1ccc(CCc2cc(CCc3ccc(O)cc3)[nH]n2)cc1
InChIInChI=1S/C19H20N2O2/c22-18-9-3-14(4-10-18)1-7-16-13-17(21-20-16)8-2-15-5-11-19(23)12-6-15/h3-6,9-13,22-23H,1-2,7-8H2,(H,20,21)
InChIKeySEUJPJQOQSNNGS-UHFFFAOYSA-N
XLogP3.39
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]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 4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol?
The IUPAC name of 4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol (CID 14578498) is 4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol is Oc1ccc(CCc2cc(CCc3ccc(O)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol?
The InChIKey is SEUJPJQOQSNNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18-9-3-14(4-10-18)1-7-16-13-17(21-20-16)8-2-15-5-11-19(23)12-6-15/h3-6,9-13,22-23H,1-2,7-8H2,(H,20,21).
What are the key properties of 4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol?
4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol has a molecular weight of 308.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol is sourced from PubChem (CID 14578498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).