5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one

C22H18N2O2S — CID 10571453

IUPAC5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one
SMILESCc1ccc(Sc2c(O)n(-c3ccccc3)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-12-14-19(15-13-16)27-20-21(25)23(17-8-4-2-5-9-17)24(22(20)26)18-10-6-3-7-11-18/h2-15,25H,1H3
InChIKeyJIANIZZWBHYZII-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.79
Rot. Bonds4

About 5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one

5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one (PubChem CID 10571453) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one.

Molecular Properties

Compound Name5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one
PubChem CID10571453
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one
SMILESCc1ccc(Sc2c(O)n(-c3ccccc3)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-12-14-19(15-13-16)27-20-21(25)23(17-8-4-2-5-9-17)24(22(20)26)18-10-6-3-7-11-18/h2-15,25H,1H3
InChIKeyJIANIZZWBHYZII-UHFFFAOYSA-N
XLogP4.79
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 1304100
Antipyrine, 4-(2-(p-(phenylthio)benzoyl)vinyl)-
CID 6433852
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(4-methylphenyl)sulfanyl]propanamide
CID 2948031
3-Methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-OL
CID 2049498
1,2-Diphenyl-4-(2''-phenylsulfinethyl)-3,5-pyrazolidinedione
CID 53662785
1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol
CID 2133993
4-Hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one
CID 54686576
5-hydroxy-1,2-diphenyl-4-[2-[(S)-phenylsulfinyl]ethyl]pyrazol-3-one
CID 51375276
5-Hydroxy-1,2-diphenyl-4-(2-phenylsulfonothioylethyl)pyrazol-3-one
CID 54337201
2-Phenyl-4-(phenyl-hydrazono)-5-p-tolylsulfanylmethyl-2,4-dihydro-pyrazol-3-one
CID 2849992
5-Methyl-2-phenyl-4-(toluene-4-sulfonyl)-2H-pyrazol-3-ol
CID 6420994
1,5-Diphenyl-2-thiobenzoyl-4-pyrazolin-3-one
CID 14396885

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one?
The IUPAC name of 5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one (CID 10571453) is 5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one.
What is the SMILES notation for 5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one?
The canonical SMILES for 5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one is Cc1ccc(Sc2c(O)n(-c3ccccc3)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one?
The InChIKey is JIANIZZWBHYZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-16-12-14-19(15-13-16)27-20-21(25)23(17-8-4-2-5-9-17)24(22(20)26)18-10-6-3-7-11-18/h2-15,25H,1H3.
What are the key properties of 5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one?
5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one has a molecular weight of 374.47 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(4-methylphenyl)sulfanyl-1,2-diphenylpyrazol-3-one is sourced from PubChem (CID 10571453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).