5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide

C133H124ClN29O10 — CID 161371583

About 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide

5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide (PubChem CID 161371583) has the molecular formula C133H124ClN29O10 and a molecular weight of 2324.10 g/mol. Its IUPAC name is 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
• PubChem CID: 161371583
• Molecular Formula: C133H124ClN29O10
• Molecular Weight: 2324.10 g/mol
• Exact Mass: 2321.98
• IUPAC Name: 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
• SMILES: CCc1cccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c1.COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1[N+](=O)[O-].NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1ccccc1
• InChI: InChI=1S/C20H19ClN4O.C19H17N5O3.C19H18N4O2.3C19H18N4O.C18H16N4O/c1-2-13-5-3-7-15(9-13)12-23-20-18(19(22)26)17(24-25-20)11-14-6-4-8-16(21)10-14;1-12-7-8-14(10-16(12)24(26)27)11-21-19-17(18(20)25)15(22-23-19)9-13-5-3-2-4-6-13;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;3*1-13-7-9-15(10-8-13)12-21-19-17(18(20)24)16(22-23-19)11-14-5-3-2-4-6-14;19-17(23)16-15(11-13-7-3-1-4-8-13)21-22-18(16)20-12-14-9-5-2-6-10-14/h3-10,12H,2,11H2,1H3,(H2,22,26)(H,24,25);2-8,10-11H,9H2,1H3,(H2,20,25)(H,22,23);2-10,12H,11H2,1H3,(H2,20,24)(H,22,23);3*2-10,12H,11H2,1H3,(H2,20,24)(H,22,23);1-10,12H,11H2,(H2,19,23)(H,21,22)/b23-12+;21-11+;4*21-12+;20-12+
• InChIKey: VQNKHDWFFIRWGG-BLOYYFPCSA-N
• XLogP: 22.32
• TPSA: 641.28 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2324.10
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide (CID 161371583) is 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide is CCc1cccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c1.COc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3)c2C(N)=O)cc1[N+](=O)[O-].NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1ccccc1.

What is the InChIKey of 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?

The InChIKey is VQNKHDWFFIRWGG-BLOYYFPCSA-N. The full InChI is InChI=1S/C20H19ClN4O.C19H17N5O3.C19H18N4O2.3C19H18N4O.C18H16N4O/c1-2-13-5-3-7-15(9-13)12-23-20-18(19(22)26)17(24-25-20)11-14-6-4-8-16(21)10-14;1-12-7-8-14(10-16(12)24(26)27)11-21-19-17(18(20)25)15(22-23-19)9-13-5-3-2-4-6-13;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;3*1-13-7-9-15(10-8-13)12-21-19-17(18(20)24)16(22-23-19)11-14-5-3-2-4-6-14;19-17(23)16-15(11-13-7-3-1-4-8-13)21-22-18(16)20-12-14-9-5-2-6-10-14/h3-10,12H,2,11H2,1H3,(H2,22,26)(H,24,25);2-8,10-11H,9H2,1H3,(H2,20,25)(H,22,23);2-10,12H,11H2,1H3,(H2,20,24)(H,22,23);3*2-10,12H,11H2,1H3,(H2,20,24)(H,22,23);1-10,12H,11H2,(H2,19,23)(H,21,22)/b23-12+;21-11+;4*21-12+;20-12+.

What are the key properties of 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?

5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide has a molecular weight of 2324.10 g/mol, XLogP of 22.32, 38 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 161371583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).