2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol

C26H24Cl2N2O3S — CID 69109214

IUPAC2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol
SMILESCc1cc(C2=NN=C(C(C)(C)O)C2c2c(Cl)cccc2Cl)ccc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C26H24Cl2N2O3S/c1-15-13-17(11-12-19(15)16-7-5-8-18(14-16)34(4,32)33)24-23(25(30-29-24)26(2,3)31)22-20(27)9-6-10-21(22)28/h5-14,23,31H,1-4H3
InChIKeyDSJJLCZCDANKMW-UHFFFAOYSA-N
MW515.46 g/mol
LogP6.09
Rot. Bonds5

About 2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol

2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol (PubChem CID 69109214) has the molecular formula C26H24Cl2N2O3S and a molecular weight of 515.46 g/mol. Its IUPAC name is 2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol
PubChem CID69109214
Molecular FormulaC26H24Cl2N2O3S
Molecular Weight515.46 g/mol
Exact Mass514.09
IUPAC Name2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol
SMILESCc1cc(C2=NN=C(C(C)(C)O)C2c2c(Cl)cccc2Cl)ccc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C26H24Cl2N2O3S/c1-15-13-17(11-12-19(15)16-7-5-8-18(14-16)34(4,32)33)24-23(25(30-29-24)26(2,3)31)22-20(27)9-6-10-21(22)28/h5-14,23,31H,1-4H3
InChIKeyDSJJLCZCDANKMW-UHFFFAOYSA-N
XLogP6.09
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.46
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol
CID 59631733
2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251471
1-chloro-4-methyl-2-(3-methylsulfonylphenyl)benzene
CID 141198663
2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole
CID 141164353
2-fluoro-4-methyl-5-(3-methylsulfonylphenyl)benzoic acid
CID 171905829
2-[2-(2,6-dichlorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 15948381
2-[2-[2-(2-chlorophenyl)ethyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251361
4-amino-3-[5-chloro-2-methyl-4-(3-methylsulfonylphenyl)phenyl]-1-oxaspiro[4.5]dec-3-en-2-ol
CID 143690537
2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632179
2-bromo-5-methyl-3-(3-methylsulfonylphenyl)pyridine
CID 22058358
6-methyl-4-(3-methylsulfonylphenyl)pyridine-3-carboxylic acid
CID 171390970
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol
CID 59251562

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol (CID 69109214) is 2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol is Cc1cc(C2=NN=C(C(C)(C)O)C2c2c(Cl)cccc2Cl)ccc1-c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol?
The InChIKey is DSJJLCZCDANKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O3S/c1-15-13-17(11-12-19(15)16-7-5-8-18(14-16)34(4,32)33)24-23(25(30-29-24)26(2,3)31)22-20(27)9-6-10-21(22)28/h5-14,23,31H,1-4H3.
What are the key properties of 2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol?
2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol has a molecular weight of 515.46 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dichlorophenyl)-5-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-4H-pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 69109214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).