N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile

C183H156Cl5F4N33O12 — CID 159891280

About N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile

N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile (PubChem CID 159891280) has the molecular formula C183H156Cl5F4N33O12 and a molecular weight of 3262.74 g/mol. Its IUPAC name is N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile.

Molecular Properties

• Compound Name: N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile
• PubChem CID: 159891280
• Molecular Formula: C183H156Cl5F4N33O12
• Molecular Weight: 3262.74 g/mol
• Exact Mass: 3258.10
• IUPAC Name: N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile
• SMILES: Cc1ccc(C(=O)NCCCNc2c(C#N)c(C(=O)c3ccc(C)cc3)nn2-c2ccc(Cl)cc2)cc1.Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(CN3CCC(NC(=O)c4ccc5cc[nH]c5c4)C3)c2C#N)cc1.Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCN3CCc4cc(C)ccc4C3=O)c2C#N)cc1.Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3ccc4cc[nH]c4c3)c2C#N)cc1.Cc1ccc(C(=O)c2nn(-c3ccc(F)cc3)c(NCCCN3CCc4cc(C)ccc4C3=O)c2C#N)cc1.N#Cc1c(C(=O)c2ccc(C(F)(F)F)cc2)nn(-c2ccc(Cl)cc2)c1NCCCNC(=O)c1ccc2cc[nH]c2c1
• InChI: InChI=1S/C32H27ClN6O2.C31H28ClN5O2.C31H28FN5O2.C30H22ClF3N6O2.C30H25ClN6O2.C29H26ClN5O2/c1-20-2-4-22(5-3-20)31(40)30-27(17-34)29(39(37-30)26-10-8-24(33)9-11-26)19-38-15-13-25(18-38)36-32(41)23-7-6-21-12-14-35-28(21)16-23;2*1-20-4-7-22(8-5-20)29(38)28-27(19-33)30(37(35-28)25-11-9-24(32)10-12-25)34-15-3-16-36-17-14-23-18-21(2)6-13-26(23)31(36)39;31-22-8-10-23(11-9-22)40-28(37-13-1-14-38-29(42)20-3-2-18-12-15-36-25(18)16-20)24(17-35)26(39-40)27(41)19-4-6-21(7-5-19)30(32,33)34;1-19-3-5-21(6-4-19)28(38)27-25(18-32)29(37(36-27)24-11-9-23(31)10-12-24)34-14-2-15-35-30(39)22-8-7-20-13-16-33-26(20)17-22;1-19-4-8-21(9-5-19)27(36)26-25(18-31)28(35(34-26)24-14-12-23(30)13-15-24)32-16-3-17-33-29(37)22-10-6-20(2)7-11-22/h2-12,14,16,25,35H,13,15,18-19H2,1H3,(H,36,41);2*4-13,18,34H,3,14-17H2,1-2H3;2-12,15-16,36-37H,1,13-14H2,(H,38,42);3-13,16-17,33-34H,2,14-15H2,1H3,(H,35,39);4-15,32H,3,16-17H2,1-2H3,(H,33,37)
• InChIKey: NUTZTNZKVHZOQL-UHFFFAOYSA-N
• XLogP: 33.89
• TPSA: 619.86 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 50
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3262.74
LogP ≤ 5	33.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile?

The IUPAC name of N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile (CID 159891280) is N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile.

What is the SMILES notation for N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile?

The canonical SMILES for N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile is Cc1ccc(C(=O)NCCCNc2c(C#N)c(C(=O)c3ccc(C)cc3)nn2-c2ccc(Cl)cc2)cc1.Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(CN3CCC(NC(=O)c4ccc5cc[nH]c5c4)C3)c2C#N)cc1.Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCN3CCc4cc(C)ccc4C3=O)c2C#N)cc1.Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3ccc4cc[nH]c4c3)c2C#N)cc1.Cc1ccc(C(=O)c2nn(-c3ccc(F)cc3)c(NCCCN3CCc4cc(C)ccc4C3=O)c2C#N)cc1.N#Cc1c(C(=O)c2ccc(C(F)(F)F)cc2)nn(-c2ccc(Cl)cc2)c1NCCCNC(=O)c1ccc2cc[nH]c2c1.

What is the InChIKey of N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile?

The InChIKey is NUTZTNZKVHZOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClN6O2.C31H28ClN5O2.C31H28FN5O2.C30H22ClF3N6O2.C30H25ClN6O2.C29H26ClN5O2/c1-20-2-4-22(5-3-20)31(40)30-27(17-34)29(39(37-30)26-10-8-24(33)9-11-26)19-38-15-13-25(18-38)36-32(41)23-7-6-21-12-14-35-28(21)16-23;2*1-20-4-7-22(8-5-20)29(38)28-27(19-33)30(37(35-28)25-11-9-24(32)10-12-25)34-15-3-16-36-17-14-23-18-21(2)6-13-26(23)31(36)39;31-22-8-10-23(11-9-22)40-28(37-13-1-14-38-29(42)20-3-2-18-12-15-36-25(18)16-20)24(17-35)26(39-40)27(41)19-4-6-21(7-5-19)30(32,33)34;1-19-3-5-21(6-4-19)28(38)27-25(18-32)29(37(36-27)24-11-9-23(31)10-12-24)34-14-2-15-35-30(39)22-8-7-20-13-16-33-26(20)17-22;1-19-4-8-21(9-5-19)27(36)26-25(18-31)28(35(34-26)24-14-12-23(30)13-15-24)32-16-3-17-33-29(37)22-10-6-20(2)7-11-22/h2-12,14,16,25,35H,13,15,18-19H2,1H3,(H,36,41);2*4-13,18,34H,3,14-17H2,1-2H3;2-12,15-16,36-37H,1,13-14H2,(H,38,42);3-13,16-17,33-34H,2,14-15H2,1H3,(H,35,39);4-15,32H,3,16-17H2,1-2H3,(H,33,37).

What are the key properties of N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile?

N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile has a molecular weight of 3262.74 g/mol, XLogP of 33.89, 50 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-(4-methylbenzoyl)pyrazol-5-yl]amino]propyl]-4-methylbenzamide;N-[1-[[2-(4-chlorophenyl)-4-cyano-5-(4-methylbenzoyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide;N-[3-[[1-(4-chlorophenyl)-4-cyano-3-[4-(trifluoromethyl)benzoyl]pyrazol-5-yl]amino]propyl]-1H-indole-6-carboxamide;1-(4-chlorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile;1-(4-fluorophenyl)-3-(4-methylbenzoyl)-5-[3-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)propylamino]pyrazole-4-carbonitrile is sourced from PubChem (CID 159891280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).