2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol

C24H20ClF3N2O4S2 — CID 68655439

IUPAC2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol
SMILESCC(CO)c1nn(-c2cccc(C(F)(F)F)c2O)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1Cl
InChIInChI=1S/C24H20ClF3N2O4S2/c1-13(12-31)21-20(25)22(30(29-21)17-8-4-7-16(23(17)32)24(26,27)28)19-10-9-18(35-19)14-5-3-6-15(11-14)36(2,33)34/h3-11,13,31-32H,12H2,1-2H3
InChIKeyYSBCMNKJXHJHMH-UHFFFAOYSA-N
MW557.02 g/mol
LogP6.14
Rot. Bonds6

About 2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol

2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol (PubChem CID 68655439) has the molecular formula C24H20ClF3N2O4S2 and a molecular weight of 557.02 g/mol. Its IUPAC name is 2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol
PubChem CID68655439
Molecular FormulaC24H20ClF3N2O4S2
Molecular Weight557.02 g/mol
Exact Mass556.05
IUPAC Name2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol
SMILESCC(CO)c1nn(-c2cccc(C(F)(F)F)c2O)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1Cl
InChIInChI=1S/C24H20ClF3N2O4S2/c1-13(12-31)21-20(25)22(30(29-21)17-8-4-7-16(23(17)32)24(26,27)28)19-10-9-18(35-19)14-5-3-6-15(11-14)36(2,33)34/h3-11,13,31-32H,12H2,1-2H3
InChIKeyYSBCMNKJXHJHMH-UHFFFAOYSA-N
XLogP6.14
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.02
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-chloro-1-(3-fluoro-4-pyridinyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632200
2-[4-bromo-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol
CID 59633279
5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 141164267
1-[4-chloro-5-[3-methyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[4-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]propan-2-ol
CID 172827553
methyl 4-chloro-5-[5-(3-methylsulfonylphenyl)-1,3,4-thiadiazol-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 71727577
5-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-3-prop-1-en-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 69120821
1-(2-bromophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656338
1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656654
5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-(2,2,2-trifluoroethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 87532685
4-bromo-1-(2-bromophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazole
CID 141164293
3-[2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine
CID 59633327
[5-[5-(3-methylsulfonylphenyl)-1,3,4-thiadiazol-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanediol
CID 137483778

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol?
The IUPAC name of 2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol (CID 68655439) is 2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol is CC(CO)c1nn(-c2cccc(C(F)(F)F)c2O)c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)c1Cl.
What is the InChIKey of 2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol?
The InChIKey is YSBCMNKJXHJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O4S2/c1-13(12-31)21-20(25)22(30(29-21)17-8-4-7-16(23(17)32)24(26,27)28)19-10-9-18(35-19)14-5-3-6-15(11-14)36(2,33)34/h3-11,13,31-32H,12H2,1-2H3.
What are the key properties of 2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol?
2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol has a molecular weight of 557.02 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(1-hydroxypropan-2-yl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)phenol is sourced from PubChem (CID 68655439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).