4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C91H79F5N16O8S4 — CID 161124011

IUPAC4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2cc(-c3ccncc3)ccc2C)n(-c2ccc(S(N)(=O)=O)cc2)n1.Cc1cc(-c2ccc(C)c(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)c2)ccn1.Cc1ccc(-c2ccncc2)cc1-c1cc(C(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(-c2ccncc2)cc1-c1cc(C2CC2)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H22N4O2S.C23H19F3N4O2S.C22H18F2N4O2S.C22H20N4O2S/c1-16-2-3-19(17-10-12-26-13-11-17)14-22(16)24-15-23(18-4-5-18)27-28(24)20-6-8-21(9-7-20)31(25,29)30;1-14-3-4-16(17-9-10-28-15(2)11-17)12-20(14)21-13-22(23(24,25)26)29-30(21)18-5-7-19(8-6-18)33(27,31)32;1-14-2-3-16(15-8-10-26-11-9-15)12-19(14)21-13-20(22(23)24)27-28(21)17-4-6-18(7-5-17)31(25,29)30;1-15-3-4-18(17-9-11-24-12-10-17)14-21(15)22-13-16(2)25-26(22)19-5-7-20(8-6-19)29(23,27)28/h2-3,6-15,18H,4-5H2,1H3,(H2,25,29,30);3-13H,1-2H3,(H2,27,31,32);2-13,22H,1H3,(H2,25,29,30);3-14H,1-2H3,(H2,23,27,28)
InChIKeyULHWNKUVMLQSTR-UHFFFAOYSA-N
MW1747.99 g/mol
LogP17.68
Rot. Bonds18

About 4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 161124011) has the molecular formula C91H79F5N16O8S4 and a molecular weight of 1747.99 g/mol. Its IUPAC name is 4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID161124011
Molecular FormulaC91H79F5N16O8S4
Molecular Weight1747.99 g/mol
Exact Mass1746.51
IUPAC Name4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2cc(-c3ccncc3)ccc2C)n(-c2ccc(S(N)(=O)=O)cc2)n1.Cc1cc(-c2ccc(C)c(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)c2)ccn1.Cc1ccc(-c2ccncc2)cc1-c1cc(C(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(-c2ccncc2)cc1-c1cc(C2CC2)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H22N4O2S.C23H19F3N4O2S.C22H18F2N4O2S.C22H20N4O2S/c1-16-2-3-19(17-10-12-26-13-11-17)14-22(16)24-15-23(18-4-5-18)27-28(24)20-6-8-21(9-7-20)31(25,29)30;1-14-3-4-16(17-9-10-28-15(2)11-17)12-20(14)21-13-22(23(24,25)26)29-30(21)18-5-7-19(8-6-18)33(27,31)32;1-14-2-3-16(15-8-10-26-11-9-15)12-19(14)21-13-20(22(23)24)27-28(21)17-4-6-18(7-5-17)31(25,29)30;1-15-3-4-18(17-9-11-24-12-10-17)14-21(15)22-13-16(2)25-26(22)19-5-7-20(8-6-19)29(23,27)28/h2-3,6-15,18H,4-5H2,1H3,(H2,25,29,30);3-13H,1-2H3,(H2,27,31,32);2-13,22H,1H3,(H2,25,29,30);3-14H,1-2H3,(H2,23,27,28)
InChIKeyULHWNKUVMLQSTR-UHFFFAOYSA-N
XLogP17.68
TPSA363.48 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001747.99
LogP ≤ 517.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide with MolForge

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Related Compounds

Bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);bis(4-(2-pyridin-4-ylethyl)pyridine)
CID 139199317
Bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);propan-2-one;bis(4-pyridin-4-ylpyridine)
CID 139199318
Bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);oxolane;bis(4-pyridin-4-ylpyridine)
CID 139199319
1,4-Dioxane;bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);bis(4-pyridin-4-ylpyridine)
CID 139199320
bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);propan-2-one;bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)
CID 139199321
1,4-dioxane;bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine)
CID 139199322
3-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-fluoro-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[4-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide
CID 157179879
4-[5-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-methylpiperidin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 157261286
4-[5-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(2-methyl-5-pyridin-3-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(2-methyl-5-pyrimidin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2H-pyrrol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 157933484
4-[5-(5-methyl-2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 158053644
4-[5-[2-(dimethylamino)-5-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;2-fluoro-4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-fluoro-5-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[3-(2H-pyrrol-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 158063848
3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole
CID 158226193

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 161124011) is 4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1cc(-c2cc(-c3ccncc3)ccc2C)n(-c2ccc(S(N)(=O)=O)cc2)n1.Cc1cc(-c2ccc(C)c(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)c2)ccn1.Cc1ccc(-c2ccncc2)cc1-c1cc(C(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(-c2ccncc2)cc1-c1cc(C2CC2)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is ULHWNKUVMLQSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S.C23H19F3N4O2S.C22H18F2N4O2S.C22H20N4O2S/c1-16-2-3-19(17-10-12-26-13-11-17)14-22(16)24-15-23(18-4-5-18)27-28(24)20-6-8-21(9-7-20)31(25,29)30;1-14-3-4-16(17-9-10-28-15(2)11-17)12-20(14)21-13-22(23(24,25)26)29-30(21)18-5-7-19(8-6-18)33(27,31)32;1-14-2-3-16(15-8-10-26-11-9-15)12-19(14)21-13-20(22(23)24)27-28(21)17-4-6-18(7-5-17)31(25,29)30;1-15-3-4-18(17-9-11-24-12-10-17)14-21(15)22-13-16(2)25-26(22)19-5-7-20(8-6-19)29(23,27)28/h2-3,6-15,18H,4-5H2,1H3,(H2,25,29,30);3-13H,1-2H3,(H2,27,31,32);2-13,22H,1H3,(H2,25,29,30);3-14H,1-2H3,(H2,23,27,28).
What are the key properties of 4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 1747.99 g/mol, XLogP of 17.68, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclopropyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(difluoromethyl)-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-methyl-5-(2-methyl-5-pyridin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2-methyl-4-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 161124011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).