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

C22H18N2O2 — CID 70196359

IUPAC3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCc1ccccc1-c1c(-c2cccc(O)c2)n[nH]c1-c1cccc(O)c1
InChIInChI=1S/C22H18N2O2/c1-14-6-2-3-11-19(14)20-21(15-7-4-9-17(25)12-15)23-24-22(20)16-8-5-10-18(26)13-16/h2-13,25-26H,1H3,(H,23,24)
InChIKeyQGSKCDDBDXYIBX-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.13
Rot. Bonds3

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

3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 70196359) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID70196359
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCc1ccccc1-c1c(-c2cccc(O)c2)n[nH]c1-c1cccc(O)c1
InChIInChI=1S/C22H18N2O2/c1-14-6-2-3-11-19(14)20-21(15-7-4-9-17(25)12-15)23-24-22(20)16-8-5-10-18(26)13-16/h2-13,25-26H,1H3,(H,23,24)
InChIKeyQGSKCDDBDXYIBX-UHFFFAOYSA-N
XLogP5.13
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol (CID 70196359) is 3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol is Cc1ccccc1-c1c(-c2cccc(O)c2)n[nH]c1-c1cccc(O)c1.
What is the InChIKey of 3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is QGSKCDDBDXYIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-6-2-3-11-19(14)20-21(15-7-4-9-17(25)12-15)23-24-22(20)16-8-5-10-18(26)13-16/h2-13,25-26H,1H3,(H,23,24).
What are the key properties of 3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol?
3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 342.40 g/mol, XLogP of 5.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 70196359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).