2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

C23H19Cl2FN2O3S2 — CID 57458739

IUPAC2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1nn(-c2c(F)cccc2Cl)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1Cl
InChIInChI=1S/C23H19Cl2FN2O3S2/c1-23(2,29)22-19(25)21(28(27-22)20-15(24)8-5-9-16(20)26)18-11-10-17(32-18)13-6-4-7-14(12-13)33(3,30)31/h4-12,29H,1-3H3
InChIKeyNPYGVQBTNVQEOV-UHFFFAOYSA-N
MW525.45 g/mol
LogP6.34
Rot. Bonds5

About 2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 57458739) has the molecular formula C23H19Cl2FN2O3S2 and a molecular weight of 525.45 g/mol. Its IUPAC name is 2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
PubChem CID57458739
Molecular FormulaC23H19Cl2FN2O3S2
Molecular Weight525.45 g/mol
Exact Mass524.02
IUPAC Name2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1nn(-c2c(F)cccc2Cl)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1Cl
InChIInChI=1S/C23H19Cl2FN2O3S2/c1-23(2,29)22-19(25)21(28(27-22)20-15(24)8-5-9-16(20)26)18-11-10-17(32-18)13-6-4-7-14(12-13)33(3,30)31/h4-12,29H,1-3H3
InChIKeyNPYGVQBTNVQEOV-UHFFFAOYSA-N
XLogP6.34
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.45
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 57458739) is 2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is CC(C)(O)c1nn(-c2c(F)cccc2Cl)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1Cl.
What is the InChIKey of 2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
The InChIKey is NPYGVQBTNVQEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN2O3S2/c1-23(2,29)22-19(25)21(28(27-22)20-15(24)8-5-9-16(20)26)18-11-10-17(32-18)13-6-4-7-14(12-13)33(3,30)31/h4-12,29H,1-3H3.
What are the key properties of 2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?
2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 525.45 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-(2-chloro-6-fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 57458739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).