3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide

C128H105Cl10FN38O9 — CID 160891423

About 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide (PubChem CID 160891423) has the molecular formula C128H105Cl10FN38O9 and a molecular weight of 2693.03 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
• PubChem CID: 160891423
• Molecular Formula: C128H105Cl10FN38O9
• Molecular Weight: 2693.03 g/mol
• Exact Mass: 2686.58
• IUPAC Name: 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
• SMILES: Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(O)c1.Cc1cnc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(Cl)n1.Cc1nn(C)c(Cl)c1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.NC(=O)c1c(/N=C/c2c(F)cccc2Cl)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2ccc3c(c2)N=NC3)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2cccc(Oc3ncccn3)c2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2cnccn2)n[nH]c1Cc1cccc(Cl)c1
• InChI: InChI=1S/C22H17ClN6O2.C19H15ClN6O.C19H17ClN4O2.C18H13Cl2FN4O.C17H16Cl2N6O.C17H14Cl2N6O.C16H13ClN6O/c23-16-6-1-4-14(10-16)12-18-19(20(24)30)21(29-28-18)27-13-15-5-2-7-17(11-15)31-22-25-8-3-9-26-22;20-14-3-1-2-11(6-14)7-16-17(18(21)27)19(26-25-16)22-9-12-4-5-13-10-23-24-15(13)8-12;1-11-5-6-13(16(25)7-11)10-22-19-17(18(21)26)15(23-24-19)9-12-3-2-4-14(20)8-12;19-11-4-1-3-10(7-11)8-15-16(17(22)26)18(25-24-15)23-9-12-13(20)5-2-6-14(12)21;1-9-12(15(19)25(2)24-9)8-21-17-14(16(20)26)13(22-23-17)7-10-4-3-5-11(18)6-10;1-9-7-21-13(15(19)23-9)8-22-17-14(16(20)26)12(24-25-17)6-10-3-2-4-11(18)5-10;17-11-3-1-2-10(6-11)7-13-14(15(18)24)16(23-22-13)21-9-12-8-19-4-5-20-12/h1-11,13H,12H2,(H2,24,30)(H,28,29);1-6,8-9H,7,10H2,(H2,21,27)(H,25,26);2-8,10,25H,9H2,1H3,(H2,21,26)(H,23,24);1-7,9H,8H2,(H2,22,26)(H,24,25);3-6,8H,7H2,1-2H3,(H2,20,26)(H,22,23);2-5,7-8H,6H2,1H3,(H2,20,26)(H,24,25);1-6,8-9H,7H2,(H2,18,24)(H,22,23)/b27-13+;22-9+;22-10+;23-9+;21-8+;22-8+;21-9+
• InChIKey: SOHYODJJUWZTBE-DCQPCVGZSA-N
• XLogP: 24.75
• TPSA: 738.25 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 37
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2693.03
LogP ≤ 5	24.75
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?

The IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide (CID 160891423) is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide is Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(O)c1.Cc1cnc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(Cl)n1.Cc1nn(C)c(Cl)c1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.NC(=O)c1c(/N=C/c2c(F)cccc2Cl)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2ccc3c(c2)N=NC3)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2cccc(Oc3ncccn3)c2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2cnccn2)n[nH]c1Cc1cccc(Cl)c1.

What is the InChIKey of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?

The InChIKey is SOHYODJJUWZTBE-DCQPCVGZSA-N. The full InChI is InChI=1S/C22H17ClN6O2.C19H15ClN6O.C19H17ClN4O2.C18H13Cl2FN4O.C17H16Cl2N6O.C17H14Cl2N6O.C16H13ClN6O/c23-16-6-1-4-14(10-16)12-18-19(20(24)30)21(29-28-18)27-13-15-5-2-7-17(11-15)31-22-25-8-3-9-26-22;20-14-3-1-2-11(6-14)7-16-17(18(21)27)19(26-25-16)22-9-12-4-5-13-10-23-24-15(13)8-12;1-11-5-6-13(16(25)7-11)10-22-19-17(18(21)26)15(23-24-19)9-12-3-2-4-14(20)8-12;19-11-4-1-3-10(7-11)8-15-16(17(22)26)18(25-24-15)23-9-12-13(20)5-2-6-14(12)21;1-9-12(15(19)25(2)24-9)8-21-17-14(16(20)26)13(22-23-17)7-10-4-3-5-11(18)6-10;1-9-7-21-13(15(19)23-9)8-22-17-14(16(20)26)12(24-25-17)6-10-3-2-4-11(18)5-10;17-11-3-1-2-10(6-11)7-13-14(15(18)24)16(23-22-13)21-9-12-8-19-4-5-20-12/h1-11,13H,12H2,(H2,24,30)(H,28,29);1-6,8-9H,7,10H2,(H2,21,27)(H,25,26);2-8,10,25H,9H2,1H3,(H2,21,26)(H,23,24);1-7,9H,8H2,(H2,22,26)(H,24,25);3-6,8H,7H2,1-2H3,(H2,20,26)(H,22,23);2-5,7-8H,6H2,1H3,(H2,20,26)(H,24,25);1-6,8-9H,7H2,(H2,18,24)(H,22,23)/b27-13+;22-9+;22-10+;23-9+;21-8+;22-8+;21-9+.

What are the key properties of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide has a molecular weight of 2693.03 g/mol, XLogP of 24.75, 37 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 160891423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).