4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide

C79H83F3N14O11S4 — CID 160803988

IUPAC4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide
SMILESCC1CN(Cc2cc(Cc3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3F)n2)CC(C)O1.NS(=O)(=O)c1ccc(-n2nc(CN3CC=CCC3)cc2Cc2ccccc2)c(F)c1.NS(=O)(=O)c1ccc(-n2nc(CO)cc2Cc2ccccc2)c(F)c1.NS(=O)(=O)c1ccc(-n2nc(CO)cc2Cc2ccccc2)cc1
InChIInChI=1S/C23H27FN4O3S.C22H23FN4O2S.C17H16FN3O3S.C17H17N3O3S/c1-16-13-27(14-17(2)31-16)15-19-11-20(10-18-6-4-3-5-7-18)28(26-19)23-9-8-21(12-22(23)24)32(25,29)30;23-21-15-20(30(24,28)29)9-10-22(21)27-19(13-17-7-3-1-4-8-17)14-18(25-27)16-26-11-5-2-6-12-26;18-16-10-15(25(19,23)24)6-7-17(16)21-14(9-13(11-22)20-21)8-12-4-2-1-3-5-12;18-24(22,23)17-8-6-15(7-9-17)20-16(11-14(12-21)19-20)10-13-4-2-1-3-5-13/h3-9,11-12,16-17H,10,13-15H2,1-2H3,(H2,25,29,30);1-5,7-10,14-15H,6,11-13,16H2,(H2,24,28,29);1-7,9-10,22H,8,11H2,(H2,19,23,24);1-9,11,21H,10,12H2,(H2,18,22,23)
InChIKeySDLHUNPUKPFHOP-UHFFFAOYSA-N
MW1589.88 g/mol
LogP9.22
Rot. Bonds22

About 4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide

4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide (PubChem CID 160803988) has the molecular formula C79H83F3N14O11S4 and a molecular weight of 1589.88 g/mol. Its IUPAC name is 4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide
PubChem CID160803988
Molecular FormulaC79H83F3N14O11S4
Molecular Weight1589.88 g/mol
Exact Mass1588.52
IUPAC Name4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide
SMILESCC1CN(Cc2cc(Cc3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3F)n2)CC(C)O1.NS(=O)(=O)c1ccc(-n2nc(CN3CC=CCC3)cc2Cc2ccccc2)c(F)c1.NS(=O)(=O)c1ccc(-n2nc(CO)cc2Cc2ccccc2)c(F)c1.NS(=O)(=O)c1ccc(-n2nc(CO)cc2Cc2ccccc2)cc1
InChIInChI=1S/C23H27FN4O3S.C22H23FN4O2S.C17H16FN3O3S.C17H17N3O3S/c1-16-13-27(14-17(2)31-16)15-19-11-20(10-18-6-4-3-5-7-18)28(26-19)23-9-8-21(12-22(23)24)32(25,29)30;23-21-15-20(30(24,28)29)9-10-22(21)27-19(13-17-7-3-1-4-8-17)14-18(25-27)16-26-11-5-2-6-12-26;18-16-10-15(25(19,23)24)6-7-17(16)21-14(9-13(11-22)20-21)8-12-4-2-1-3-5-12;18-24(22,23)17-8-6-15(7-9-17)20-16(11-14(12-21)19-20)10-13-4-2-1-3-5-13/h3-9,11-12,16-17H,10,13-15H2,1-2H3,(H2,25,29,30);1-5,7-10,14-15H,6,11-13,16H2,(H2,24,28,29);1-7,9-10,22H,8,11H2,(H2,19,23,24);1-9,11,21H,10,12H2,(H2,18,22,23)
InChIKeySDLHUNPUKPFHOP-UHFFFAOYSA-N
XLogP9.22
TPSA368.09 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001589.88
LogP ≤ 59.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide with MolForge

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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-[(4-Bromophenyl)methyl]-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[butyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[(2-hydroxycyclohexyl)-methylamino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
CID 160080333
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-[[2-Cyanoethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[3-[[methyl(2-phenoxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
CID 160596504
4-[5-Benzyl-3-[[butyl(methyl)amino]methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[[methyl(propyl)amino]methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[(3-oxo-2-oxa-5-azabicyclo[2.2.2]octan-5-yl)methyl]pyrazol-1-yl]benzenesulfonamide
CID 161413529

Frequently Asked Questions

What is the IUPAC name of 4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide (CID 160803988) is 4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide is CC1CN(Cc2cc(Cc3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3F)n2)CC(C)O1.NS(=O)(=O)c1ccc(-n2nc(CN3CC=CCC3)cc2Cc2ccccc2)c(F)c1.NS(=O)(=O)c1ccc(-n2nc(CO)cc2Cc2ccccc2)c(F)c1.NS(=O)(=O)c1ccc(-n2nc(CO)cc2Cc2ccccc2)cc1.
What is the InChIKey of 4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide?
The InChIKey is SDLHUNPUKPFHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S.C22H23FN4O2S.C17H16FN3O3S.C17H17N3O3S/c1-16-13-27(14-17(2)31-16)15-19-11-20(10-18-6-4-3-5-7-18)28(26-19)23-9-8-21(12-22(23)24)32(25,29)30;23-21-15-20(30(24,28)29)9-10-22(21)27-19(13-17-7-3-1-4-8-17)14-18(25-27)16-26-11-5-2-6-12-26;18-16-10-15(25(19,23)24)6-7-17(16)21-14(9-13(11-22)20-21)8-12-4-2-1-3-5-12;18-24(22,23)17-8-6-15(7-9-17)20-16(11-14(12-21)19-20)10-13-4-2-1-3-5-13/h3-9,11-12,16-17H,10,13-15H2,1-2H3,(H2,25,29,30);1-5,7-10,14-15H,6,11-13,16H2,(H2,24,28,29);1-7,9-10,22H,8,11H2,(H2,19,23,24);1-9,11,21H,10,12H2,(H2,18,22,23).
What are the key properties of 4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide?
4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide has a molecular weight of 1589.88 g/mol, XLogP of 9.22, 22 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 160803988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).