5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide

C86H79Cl4N19O8 — CID 159355650

IUPAC5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1
InChIInChI=1S/C23H22ClN5O2.C22H20ClN5O2.C21H19ClN4O2.C20H18ClN5O2/c1-28-20(19(14-26-28)23(31)27-18-9-7-17(24)8-10-18)13-21(30)15-3-5-16(6-4-15)22(25)29-11-2-12-29;1-27-19(18(13-25-27)22(30)26-17-8-6-16(23)7-9-17)12-20(29)14-2-4-15(5-3-14)21(24)28-10-11-28;1-13(23)14-3-5-15(6-4-14)20(27)11-19-18(12-24-26(19)2)21(28)25-17-9-7-16(22)8-10-17;1-26-17(10-18(27)12-2-4-13(5-3-12)19(22)23)16(11-24-26)20(28)25-15-8-6-14(21)7-9-15/h3-10,14,25H,2,11-13H2,1H3,(H,27,31);2-9,13,24H,10-12H2,1H3,(H,26,30);3-10,12,23H,11H2,1-2H3,(H,25,28);2-9,11H,10H2,1H3,(H3,22,23)(H,25,28)/b25-22-;24-21-;23-13+;
InChIKeyLHWRAUUJPOHCAJ-IHLVKVAMSA-N
MW1648.51 g/mol
LogP14.35
Rot. Bonds24

About 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide

5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 159355650) has the molecular formula C86H79Cl4N19O8 and a molecular weight of 1648.51 g/mol. Its IUPAC name is 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
PubChem CID159355650
Molecular FormulaC86H79Cl4N19O8
Molecular Weight1648.51 g/mol
Exact Mass1645.51
IUPAC Name5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1
InChIInChI=1S/C23H22ClN5O2.C22H20ClN5O2.C21H19ClN4O2.C20H18ClN5O2/c1-28-20(19(14-26-28)23(31)27-18-9-7-17(24)8-10-18)13-21(30)15-3-5-16(6-4-15)22(25)29-11-2-12-29;1-27-19(18(13-25-27)22(30)26-17-8-6-16(23)7-9-17)12-20(29)14-2-4-15(5-3-14)21(24)28-10-11-28;1-13(23)14-3-5-15(6-4-14)20(27)11-19-18(12-24-26(19)2)21(28)25-17-9-7-16(22)8-10-17;1-26-17(10-18(27)12-2-4-13(5-3-12)19(22)23)16(11-24-26)20(28)25-15-8-6-14(21)7-9-15/h3-10,14,25H,2,11-13H2,1H3,(H,27,31);2-9,13,24H,10-12H2,1H3,(H,26,30);3-10,12,23H,11H2,1-2H3,(H,25,28);2-9,11H,10H2,1H3,(H3,22,23)(H,25,28)/b25-22-;24-21-;23-13+;
InChIKeyLHWRAUUJPOHCAJ-IHLVKVAMSA-N
XLogP14.35
TPSA383.63 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001648.51
LogP ≤ 514.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 157266221
5-chloro-N-(4-chlorophenyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 158539100
N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
CID 157192088
2-[2-[4-(azepane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-cyclopentylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide
CID 158769456
N-(4-chlorophenyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728023
2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide
CID 157462733
N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 159566547
N-(4-chlorophenyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728034
5-chloro-N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide
CID 147923757
1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea
CID 2014
N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
CID 162097607
2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(4-chlorophenyl)benzamide;methane
CID 158382670

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide (CID 159355650) is 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide is [H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.
What is the InChIKey of 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is LHWRAUUJPOHCAJ-IHLVKVAMSA-N. The full InChI is InChI=1S/C23H22ClN5O2.C22H20ClN5O2.C21H19ClN4O2.C20H18ClN5O2/c1-28-20(19(14-26-28)23(31)27-18-9-7-17(24)8-10-18)13-21(30)15-3-5-16(6-4-15)22(25)29-11-2-12-29;1-27-19(18(13-25-27)22(30)26-17-8-6-16(23)7-9-17)12-20(29)14-2-4-15(5-3-14)21(24)28-10-11-28;1-13(23)14-3-5-15(6-4-14)20(27)11-19-18(12-24-26(19)2)21(28)25-17-9-7-16(22)8-10-17;1-26-17(10-18(27)12-2-4-13(5-3-12)19(22)23)16(11-24-26)20(28)25-15-8-6-14(21)7-9-15/h3-10,14,25H,2,11-13H2,1H3,(H,27,31);2-9,13,24H,10-12H2,1H3,(H,26,30);3-10,12,23H,11H2,1-2H3,(H,25,28);2-9,11H,10H2,1H3,(H3,22,23)(H,25,28)/b25-22-;24-21-;23-13+;.
What are the key properties of 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 1648.51 g/mol, XLogP of 14.35, 24 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 159355650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).