5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide

C114H100Cl5N25O8 — CID 161492140

About 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide

5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide (PubChem CID 161492140) has the molecular formula C114H100Cl5N25O8 and a molecular weight of 2125.49 g/mol. Its IUPAC name is 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide
• PubChem CID: 161492140
• Molecular Formula: C114H100Cl5N25O8
• Molecular Weight: 2125.49 g/mol
• Exact Mass: 2121.66
• IUPAC Name: 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide
• SMILES: COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1.COc1ccccc1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.NC(=O)c1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2cccc3ccccc23)n[nH]c1Cc1cccc(Cl)c1
• InChI: InChI=1S/C22H17ClN4O.C19H17ClN4O2.2C19H17ClN4O.C19H18N4O2.C16H14ClN5O/c23-17-9-3-5-14(11-17)12-19-20(21(24)28)22(27-26-19)25-13-16-8-4-7-15-6-1-2-10-18(15)16;1-26-16-8-3-2-6-13(16)11-22-19-17(18(21)25)15(23-24-19)10-12-5-4-7-14(20)9-12;2*1-12-5-7-13(8-6-12)11-22-19-17(18(21)25)16(23-24-19)10-14-3-2-4-15(20)9-14;1-25-15-9-7-14(8-10-15)12-21-19-17(18(20)24)16(22-23-19)11-13-5-3-2-4-6-13;17-11-4-1-3-10(7-11)8-13-14(15(18)23)16(22-21-13)20-9-12-5-2-6-19-12/h1-11,13H,12H2,(H2,24,28)(H,26,27);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2*2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2-10,12H,11H2,1H3,(H2,20,24)(H,22,23);1-7,9,19H,8H2,(H2,18,23)(H,21,22)/b25-13+;3*22-11+;21-12+;20-9+
• InChIKey: WFTCPUADCFXFGW-RQDZXJDASA-N
• XLogP: 21.48
• TPSA: 539.03 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2125.49
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide (CID 161492140) is 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide is COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1.COc1ccccc1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.NC(=O)c1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2cccc3ccccc23)n[nH]c1Cc1cccc(Cl)c1.

What is the InChIKey of 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide?

The InChIKey is WFTCPUADCFXFGW-RQDZXJDASA-N. The full InChI is InChI=1S/C22H17ClN4O.C19H17ClN4O2.2C19H17ClN4O.C19H18N4O2.C16H14ClN5O/c23-17-9-3-5-14(11-17)12-19-20(21(24)28)22(27-26-19)25-13-16-8-4-7-15-6-1-2-10-18(15)16;1-26-16-8-3-2-6-13(16)11-22-19-17(18(21)25)15(23-24-19)10-12-5-4-7-14(20)9-12;2*1-12-5-7-13(8-6-12)11-22-19-17(18(21)25)16(23-24-19)10-14-3-2-4-15(20)9-14;1-25-15-9-7-14(8-10-15)12-21-19-17(18(20)24)16(22-23-19)11-13-5-3-2-4-6-13;17-11-4-1-3-10(7-11)8-13-14(15(18)23)16(22-21-13)20-9-12-5-2-6-19-12/h1-11,13H,12H2,(H2,24,28)(H,26,27);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2*2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2-10,12H,11H2,1H3,(H2,20,24)(H,22,23);1-7,9,19H,8H2,(H2,18,23)(H,21,22)/b25-13+;3*22-11+;21-12+;20-9+.

What are the key properties of 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide?

5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide has a molecular weight of 2125.49 g/mol, XLogP of 21.48, 32 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 161492140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).