2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol

C17H15ClN2O2S — CID 141270025

IUPAC2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol
SMILESO=S(CCO)c1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O2S/c18-14-8-4-7-13(11-14)15-16(12-5-2-1-3-6-12)19-20-17(15)23(22)10-9-21/h1-8,11,21H,9-10H2,(H,19,20)
InChIKeyLJQYVMLUBADCHX-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.50
Rot. Bonds5

About 2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol

2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol (PubChem CID 141270025) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol
PubChem CID141270025
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol
SMILESO=S(CCO)c1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O2S/c18-14-8-4-7-13(11-14)15-16(12-5-2-1-3-6-12)19-20-17(15)23(22)10-9-21/h1-8,11,21H,9-10H2,(H,19,20)
InChIKeyLJQYVMLUBADCHX-UHFFFAOYSA-N
XLogP3.50
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
CID 141270018
4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole
CID 141270020
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
CID 83868818
2-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 57056355
3,6-bis(3-chlorophenyl)benzene-1,2,4,5-tetracarboxylic acid
CID 139733778
2-(3-chlorophenyl)-1,3,5-triphenylbenzene
CID 169275191
[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600353
6-chloro-4-phenyl-2H-phthalazin-1-one
CID 134109277
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425
5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one
CID 1486226
N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
CID 162666626

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol?
The IUPAC name of 2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol (CID 141270025) is 2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol?
The canonical SMILES for 2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol is O=S(CCO)c1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol?
The InChIKey is LJQYVMLUBADCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c18-14-8-4-7-13(11-14)15-16(12-5-2-1-3-6-12)19-20-17(15)23(22)10-9-21/h1-8,11,21H,9-10H2,(H,19,20).
What are the key properties of 2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol?
2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol has a molecular weight of 346.84 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol is sourced from PubChem (CID 141270025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).