4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol

C22H18N2O2 — CID 135462267

IUPAC4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol
SMILESCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C22H18N2O2/c1-15-21(16-7-11-19(25)12-8-16)23-24(18-5-3-2-4-6-18)22(15)17-9-13-20(26)14-10-17/h2-14,25-26H,1H3
InChIKeyHZBZKUVKHRROIA-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.93
Rot. Bonds3

About 4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol

4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol (PubChem CID 135462267) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol
PubChem CID135462267
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol
SMILESCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C22H18N2O2/c1-15-21(16-7-11-19(25)12-8-16)23-24(18-5-3-2-4-6-18)22(15)17-9-13-20(26)14-10-17/h2-14,25-26H,1H3
InChIKeyHZBZKUVKHRROIA-UHFFFAOYSA-N
XLogP4.93
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Propyl pyrazole triol
CID 5040063
Phenol, 4-(7-methyl-1-propyl-1H-indazol-3-yl)-
CID 135511848
4-[1-(4-Hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol
CID 135857091
4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71457218
2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
1-(4-Methanesulfonylphenyl)-3-(4-hydroxyphenyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15a)
CID 136961752
3-ethyl-2-(4-hydroxyphenyl)-2H-indazol-5-ol
CID 11149479
Methyl-piperidino-pyrazole
CID 135484659
4-(6-Hydroxy-1-(p-tolyl)-1H-indazol-3-yl)benzene-1,3-diol
CID 135511945
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
(2E)-3-{4-[1,3-bis(4-hydroxyphenyl)-4-methyl-1H-pyrazol-5-yl]phenyl}-1-(piperidin-1-yl)prop-2-en-1-one
CID 135857090
4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol (CID 135462267) is 4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol is Cc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol?
The InChIKey is HZBZKUVKHRROIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15-21(16-7-11-19(25)12-8-16)23-24(18-5-3-2-4-6-18)22(15)17-9-13-20(26)14-10-17/h2-14,25-26H,1H3.
What are the key properties of 4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol?
4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol has a molecular weight of 342.40 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-4-methyl-1-phenylpyrazol-5-yl]phenol is sourced from PubChem (CID 135462267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).