4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide

C99H118F4N20O9S4 — CID 160542556

IUPAC4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide
SMILESCCCN(CCOC)Cc1cc(Cc2cccc(C)c2)n(-c2ccc(S(N)(=O)=O)cc2F)n1.Cc1cccc(Cc2cc(CN(C)Cc3cnn(C(C)C)c3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1cccc(Cc2cc(CN(CCC#N)C(C)(C)C)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1cccc(Cc2cc(CN(CCC#N)C3CC3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C26H31FN6O2S.C25H30FN5O2S.C24H26FN5O2S.C24H31FN4O3S/c1-18(2)32-16-21(14-29-32)15-31(4)17-22-12-23(11-20-7-5-6-19(3)10-20)33(30-22)26-9-8-24(13-25(26)27)36(28,34)35;1-18-7-5-8-19(13-18)14-21-15-20(17-30(12-6-11-27)25(2,3)4)29-31(21)24-10-9-22(16-23(24)26)34(28,32)33;1-17-4-2-5-18(12-17)13-21-14-19(16-29(11-3-10-26)20-6-7-20)28-30(21)24-9-8-22(15-23(24)25)33(27,31)32;1-4-10-28(11-12-32-3)17-20-15-21(14-19-7-5-6-18(2)13-19)29(27-20)24-9-8-22(16-23(24)25)33(26,30)31/h5-10,12-14,16,18H,11,15,17H2,1-4H3,(H2,28,34,35);5,7-10,13,15-16H,6,12,14,17H2,1-4H3,(H2,28,32,33);2,4-5,8-9,12,14-15,20H,3,6-7,11,13,16H2,1H3,(H2,27,31,32);5-9,13,15-16H,4,10-12,14,17H2,1-3H3,(H2,26,30,31)
InChIKeyQWZDUDRVNCVGNS-UHFFFAOYSA-N
MW1936.42 g/mol
LogP14.89
Rot. Bonds37

About 4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide

4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide (PubChem CID 160542556) has the molecular formula C99H118F4N20O9S4 and a molecular weight of 1936.42 g/mol. Its IUPAC name is 4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide
PubChem CID160542556
Molecular FormulaC99H118F4N20O9S4
Molecular Weight1936.42 g/mol
Exact Mass1934.82
IUPAC Name4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide
SMILESCCCN(CCOC)Cc1cc(Cc2cccc(C)c2)n(-c2ccc(S(N)(=O)=O)cc2F)n1.Cc1cccc(Cc2cc(CN(C)Cc3cnn(C(C)C)c3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1cccc(Cc2cc(CN(CCC#N)C(C)(C)C)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1cccc(Cc2cc(CN(CCC#N)C3CC3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C26H31FN6O2S.C25H30FN5O2S.C24H26FN5O2S.C24H31FN4O3S/c1-18(2)32-16-21(14-29-32)15-31(4)17-22-12-23(11-20-7-5-6-19(3)10-20)33(30-22)26-9-8-24(13-25(26)27)36(28,34)35;1-18-7-5-8-19(13-18)14-21-15-20(17-30(12-6-11-27)25(2,3)4)29-31(21)24-10-9-22(16-23(24)26)34(28,32)33;1-17-4-2-5-18(12-17)13-21-14-19(16-29(11-3-10-26)20-6-7-20)28-30(21)24-9-8-22(15-23(24)25)33(27,31)32;1-4-10-28(11-12-32-3)17-20-15-21(14-19-7-5-6-18(2)13-19)29(27-20)24-9-8-22(16-23(24)25)33(26,30)31/h5-10,12-14,16,18H,11,15,17H2,1-4H3,(H2,28,34,35);5,7-10,13,15-16H,6,12,14,17H2,1-4H3,(H2,28,32,33);2,4-5,8-9,12,14-15,20H,3,6-7,11,13,16H2,1H3,(H2,27,31,32);5-9,13,15-16H,4,10-12,14,17H2,1-3H3,(H2,26,30,31)
InChIKeyQWZDUDRVNCVGNS-UHFFFAOYSA-N
XLogP14.89
TPSA399.51 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds37
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001936.42
LogP ≤ 514.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide 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

4-[3-[(4,4-Difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
CID 158052413
4-[5-Benzyl-3-[[cyclohexyl(methyl)amino]methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-(methoxymethyl)morpholin-4-yl]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-1-yl]benzenesulfonamide
CID 160459421
4-[3-[[Butyl(cyanomethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[(2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[(3-propoxypiperidin-1-yl)methyl]pyrazol-1-yl]benzenesulfonamide
CID 159166539

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide (CID 160542556) is 4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide is CCCN(CCOC)Cc1cc(Cc2cccc(C)c2)n(-c2ccc(S(N)(=O)=O)cc2F)n1.Cc1cccc(Cc2cc(CN(C)Cc3cnn(C(C)C)c3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1cccc(Cc2cc(CN(CCC#N)C(C)(C)C)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1cccc(Cc2cc(CN(CCC#N)C3CC3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.
What is the InChIKey of 4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is QWZDUDRVNCVGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2S.C25H30FN5O2S.C24H26FN5O2S.C24H31FN4O3S/c1-18(2)32-16-21(14-29-32)15-31(4)17-22-12-23(11-20-7-5-6-19(3)10-20)33(30-22)26-9-8-24(13-25(26)27)36(28,34)35;1-18-7-5-8-19(13-18)14-21-15-20(17-30(12-6-11-27)25(2,3)4)29-31(21)24-10-9-22(16-23(24)26)34(28,32)33;1-17-4-2-5-18(12-17)13-21-14-19(16-29(11-3-10-26)20-6-7-20)28-30(21)24-9-8-22(15-23(24)25)33(27,31)32;1-4-10-28(11-12-32-3)17-20-15-21(14-19-7-5-6-18(2)13-19)29(27-20)24-9-8-22(16-23(24)25)33(26,30)31/h5-10,12-14,16,18H,11,15,17H2,1-4H3,(H2,28,34,35);5,7-10,13,15-16H,6,12,14,17H2,1-4H3,(H2,28,32,33);2,4-5,8-9,12,14-15,20H,3,6-7,11,13,16H2,1H3,(H2,27,31,32);5-9,13,15-16H,4,10-12,14,17H2,1-3H3,(H2,26,30,31).
What are the key properties of 4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide?
4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 1936.42 g/mol, XLogP of 14.89, 37 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 160542556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).