2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol

C26H24Cl2N2O3S — CID 59631733

IUPAC2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol
SMILESCc1cc(-c2cccc(S(C)(=O)=O)c2)ccc1-n1nc(C(C)(C)O)c(Cl)c1-c1ccccc1Cl
InChIInChI=1S/C26H24Cl2N2O3S/c1-16-14-18(17-8-7-9-19(15-17)34(4,32)33)12-13-22(16)30-24(20-10-5-6-11-21(20)27)23(28)25(29-30)26(2,3)31/h5-15,31H,1-4H3
InChIKeyFVXXRNGVBDIWLG-UHFFFAOYSA-N
MW515.46 g/mol
LogP6.45
Rot. Bonds5

About 2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol

2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol (PubChem CID 59631733) has the molecular formula C26H24Cl2N2O3S and a molecular weight of 515.46 g/mol. Its IUPAC name is 2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol
PubChem CID59631733
Molecular FormulaC26H24Cl2N2O3S
Molecular Weight515.46 g/mol
Exact Mass514.09
IUPAC Name2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol
SMILESCc1cc(-c2cccc(S(C)(=O)=O)c2)ccc1-n1nc(C(C)(C)O)c(Cl)c1-c1ccccc1Cl
InChIInChI=1S/C26H24Cl2N2O3S/c1-16-14-18(17-8-7-9-19(15-17)34(4,32)33)12-13-22(16)30-24(20-10-5-6-11-21(20)27)23(28)25(29-30)26(2,3)31/h5-15,31H,1-4H3
InChIKeyFVXXRNGVBDIWLG-UHFFFAOYSA-N
XLogP6.45
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.46
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol (CID 59631733) is 2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol is Cc1cc(-c2cccc(S(C)(=O)=O)c2)ccc1-n1nc(C(C)(C)O)c(Cl)c1-c1ccccc1Cl.
What is the InChIKey of 2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol?
The InChIKey is FVXXRNGVBDIWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O3S/c1-16-14-18(17-8-7-9-19(15-17)34(4,32)33)12-13-22(16)30-24(20-10-5-6-11-21(20)27)23(28)25(29-30)26(2,3)31/h5-15,31H,1-4H3.
What are the key properties of 2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol?
2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol has a molecular weight of 515.46 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59631733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).