5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

C69H69Cl3N18O6 — CID 158686485

IUPAC5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCCC1
InChIInChI=1S/C24H25ClN6O2.C23H23ClN6O2.C22H21ClN6O2/c1-30-22(20(15-27-30)24(33)28-19-11-9-18(25)10-12-19)29-23(32)17-7-5-16(6-8-17)21(26)31-13-3-2-4-14-31;1-29-21(19(14-26-29)23(32)27-18-10-8-17(24)9-11-18)28-22(31)16-6-4-15(5-7-16)20(25)30-12-2-3-13-30;1-28-20(18(13-25-28)22(31)26-17-9-7-16(23)8-10-17)27-21(30)15-5-3-14(4-6-15)19(24)29-11-2-12-29/h5-12,15,26H,2-4,13-14H2,1H3,(H,28,33)(H,29,32);4-11,14,25H,2-3,12-13H2,1H3,(H,27,32)(H,28,31);3-10,13,24H,2,11-12H2,1H3,(H,26,31)(H,27,30)/b26-21-;25-20-;24-19-
InChIKeyIFUNKGMKCULBIY-LTOGAGMGSA-N
MW1352.79 g/mol
LogP12.00
Rot. Bonds15

About 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (PubChem CID 158686485) has the molecular formula C69H69Cl3N18O6 and a molecular weight of 1352.79 g/mol. Its IUPAC name is 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
PubChem CID158686485
Molecular FormulaC69H69Cl3N18O6
Molecular Weight1352.79 g/mol
Exact Mass1350.47
IUPAC Name5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCCC1
InChIInChI=1S/C24H25ClN6O2.C23H23ClN6O2.C22H21ClN6O2/c1-30-22(20(15-27-30)24(33)28-19-11-9-18(25)10-12-19)29-23(32)17-7-5-16(6-8-17)21(26)31-13-3-2-4-14-31;1-29-21(19(14-26-29)23(32)27-18-10-8-17(24)9-11-18)28-22(31)16-6-4-15(5-7-16)20(25)30-12-2-3-13-30;1-28-20(18(13-25-28)22(31)26-17-9-7-16(23)8-10-17)27-21(30)15-5-3-14(4-6-15)19(24)29-11-2-12-29/h5-12,15,26H,2-4,13-14H2,1H3,(H,28,33)(H,29,32);4-11,14,25H,2-3,12-13H2,1H3,(H,27,32)(H,28,31);3-10,13,24H,2,11-12H2,1H3,(H,26,31)(H,27,30)/b26-21-;25-20-;24-19-
InChIKeyIFUNKGMKCULBIY-LTOGAGMGSA-N
XLogP12.00
TPSA309.33 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001352.79
LogP ≤ 512.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-(4-chloro-2-fluorophenyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide
CID 18728000
5-[(4-carbamimidoylbenzoyl)amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 18727769
5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 18727771
5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 18727773
N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide
CID 18728005
N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
CID 18728006
N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
CID 18728007
N-(4-chlorophenyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide
CID 18728008
N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
CID 18728009
N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
CID 18728010
N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
CID 18728011
N-(4-chlorophenyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide
CID 18728024

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The IUPAC name of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (CID 158686485) is 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The canonical SMILES for 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is [H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCCC1.
What is the InChIKey of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The InChIKey is IFUNKGMKCULBIY-LTOGAGMGSA-N. The full InChI is InChI=1S/C24H25ClN6O2.C23H23ClN6O2.C22H21ClN6O2/c1-30-22(20(15-27-30)24(33)28-19-11-9-18(25)10-12-19)29-23(32)17-7-5-16(6-8-17)21(26)31-13-3-2-4-14-31;1-29-21(19(14-26-29)23(32)27-18-10-8-17(24)9-11-18)28-22(31)16-6-4-15(5-7-16)20(25)30-12-2-3-13-30;1-28-20(18(13-25-28)22(31)26-17-9-7-16(23)8-10-17)27-21(30)15-5-3-14(4-6-15)19(24)29-11-2-12-29/h5-12,15,26H,2-4,13-14H2,1H3,(H,28,33)(H,29,32);4-11,14,25H,2-3,12-13H2,1H3,(H,27,32)(H,28,31);3-10,13,24H,2,11-12H2,1H3,(H,26,31)(H,27,30)/b26-21-;25-20-;24-19-.
What are the key properties of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide has a molecular weight of 1352.79 g/mol, XLogP of 12.00, 15 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is sourced from PubChem (CID 158686485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).