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

C21H24N2O2 — CID 135693268

IUPAC4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(CC(C)C)c1-c1ccc(O)cc1
InChIInChI=1S/C21H24N2O2/c1-4-19-20(15-5-9-17(24)10-6-15)22-23(13-14(2)3)21(19)16-7-11-18(25)12-8-16/h5-12,14,24-25H,4,13H2,1-3H3
InChIKeyJCIXGPYHQCGJCS-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.85
Rot. Bonds5

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

4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol (PubChem CID 135693268) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol
PubChem CID135693268
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(CC(C)C)c1-c1ccc(O)cc1
InChIInChI=1S/C21H24N2O2/c1-4-19-20(15-5-9-17(24)10-6-15)22-23(13-14(2)3)21(19)16-7-11-18(25)12-8-16/h5-12,14,24-25H,4,13H2,1-3H3
InChIKeyJCIXGPYHQCGJCS-UHFFFAOYSA-N
XLogP4.85
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]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-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol?
The IUPAC name of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol (CID 135693268) is 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol?
The canonical SMILES for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol is CCc1c(-c2ccc(O)cc2)nn(CC(C)C)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol?
The InChIKey is JCIXGPYHQCGJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-19-20(15-5-9-17(24)10-6-15)22-23(13-14(2)3)21(19)16-7-11-18(25)12-8-16/h5-12,14,24-25H,4,13H2,1-3H3.
What are the key properties of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol?
4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol has a molecular weight of 336.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 135693268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).