2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol

C24H24F3N3O3S2 — CID 68656149

IUPAC2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol
SMILESCC1C=C(C(F)(F)F)C(n2nc(C(C)(C)O)cc2-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)=CN1
InChIInChI=1S/C24H24F3N3O3S2/c1-14-10-17(24(25,26)27)19(13-28-14)30-18(12-22(29-30)23(2,3)31)21-9-8-20(34-21)15-6-5-7-16(11-15)35(4,32)33/h5-14,28,31H,1-4H3
InChIKeyIFEWVNAGNADLAV-UHFFFAOYSA-N
MW523.60 g/mol
LogP5.19
Rot. Bonds5

About 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol

2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 68656149) has the molecular formula C24H24F3N3O3S2 and a molecular weight of 523.60 g/mol. Its IUPAC name is 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol
PubChem CID68656149
Molecular FormulaC24H24F3N3O3S2
Molecular Weight523.60 g/mol
Exact Mass523.12
IUPAC Name2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol
SMILESCC1C=C(C(F)(F)F)C(n2nc(C(C)(C)O)cc2-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)=CN1
InChIInChI=1S/C24H24F3N3O3S2/c1-14-10-17(24(25,26)27)19(13-28-14)30-18(12-22(29-30)23(2,3)31)21-9-8-20(34-21)15-6-5-7-16(11-15)35(4,32)33/h5-14,28,31H,1-4H3
InChIKeyIFEWVNAGNADLAV-UHFFFAOYSA-N
XLogP5.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.60
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 86264027
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 44241425
2-[1-(2,6-Difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 57458734
2-[1-[2-Fluoro-6-(trifluoromethyl)phenyl]-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59240216
2-[1-(2-chlorophenyl)-5-{5-[3-(methylsulfonyl)phenyl]-2-thienyl}-1H-pyrazol-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59631704
2-[2-[5-[5-(3-Methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propan-2-ol
CID 59631707
2-[1-(2,4-Difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631751
2-[4-Chloro-1-(2,3-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631769
2-[5-[5-(3-Methylsulfonylphenyl)thiophen-2-yl]-1-[4-(trifluoromethyl)pyridin-3-yl]pyrazol-3-yl]propan-2-ol
CID 59631788
2-(5-(5-(3-(methylsulfonyl)phenyl)thiophen-2-yl)-1-(2-(trifluoromethyl)-pyridin-3-yl)-1H-pyrazol-3-yl)propan-2-ol
CID 59631880
2-[1-(3-Fluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631925
2-[5-[3-Methyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[4-(trifluoromethyl)pyridin-3-yl]pyrazol-3-yl]propan-2-ol
CID 59631973

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol (CID 68656149) is 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol is CC1C=C(C(F)(F)F)C(n2nc(C(C)(C)O)cc2-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)=CN1.
What is the InChIKey of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol?
The InChIKey is IFEWVNAGNADLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3S2/c1-14-10-17(24(25,26)27)19(13-28-14)30-18(12-22(29-30)23(2,3)31)21-9-8-20(34-21)15-6-5-7-16(11-15)35(4,32)33/h5-14,28,31H,1-4H3.
What are the key properties of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol?
2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 523.60 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 68656149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).