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

C115H89Cl6N25O — CID 161051447

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

5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile (PubChem CID 161051447) has the molecular formula C115H89Cl6N25O and a molecular weight of 2049.87 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile
• PubChem CID: 161051447
• Molecular Formula: C115H89Cl6N25O
• Molecular Weight: 2049.87 g/mol
• Exact Mass: 2045.58
• IUPAC Name: 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile
• SMILES: CCc1cccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)c1.COc1ccccc1/C=N/c1n[nH]c(Cc2ccc(Cl)cc2)c1C#N.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1.N#Cc1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1ccc(Cl)cc1.N#Cc1c(/N=C/c2cccc3ccccc23)n[nH]c1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C22H15ClN4.C20H17ClN4.C19H15ClN4O.2C19H15ClN4.C16H12ClN5/c23-18-10-8-15(9-11-18)12-21-20(13-24)22(27-26-21)25-14-17-6-3-5-16-4-1-2-7-19(16)17;1-2-14-4-3-5-16(10-14)13-23-20-18(12-22)19(24-25-20)11-15-6-8-17(21)9-7-15;1-25-18-5-3-2-4-14(18)12-22-19-16(11-21)17(23-24-19)10-13-6-8-15(20)9-7-13;2*1-13-2-4-15(5-3-13)12-22-19-17(11-21)18(23-24-19)10-14-6-8-16(20)9-7-14;17-12-5-3-11(4-6-12)8-15-14(9-18)16(22-21-15)20-10-13-2-1-7-19-13/h1-11,14H,12H2,(H,26,27);3-10,13H,2,11H2,1H3,(H,24,25);2-9,12H,10H2,1H3,(H,23,24);2*2-9,12H,10H2,1H3,(H,23,24);1-7,10,19H,8H2,(H,21,22)/b25-14+;23-13+;3*22-12+;20-10+
• InChIKey: UCEQFYFTIDOICO-ULEWPEEQSA-N
• XLogP: 27.33
• TPSA: 414.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2049.87
LogP ≤ 5	27.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile (CID 161051447) is 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile.

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

The canonical SMILES for 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile is CCc1cccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)c1.COc1ccccc1/C=N/c1n[nH]c(Cc2ccc(Cl)cc2)c1C#N.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1.N#Cc1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1ccc(Cl)cc1.N#Cc1c(/N=C/c2cccc3ccccc23)n[nH]c1Cc1ccc(Cl)cc1.

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

The InChIKey is UCEQFYFTIDOICO-ULEWPEEQSA-N. The full InChI is InChI=1S/C22H15ClN4.C20H17ClN4.C19H15ClN4O.2C19H15ClN4.C16H12ClN5/c23-18-10-8-15(9-11-18)12-21-20(13-24)22(27-26-21)25-14-17-6-3-5-16-4-1-2-7-19(16)17;1-2-14-4-3-5-16(10-14)13-23-20-18(12-22)19(24-25-20)11-15-6-8-17(21)9-7-15;1-25-18-5-3-2-4-14(18)12-22-19-16(11-21)17(23-24-19)10-13-6-8-15(20)9-7-13;2*1-13-2-4-15(5-3-13)12-22-19-17(11-21)18(23-24-19)10-14-6-8-16(20)9-7-14;17-12-5-3-11(4-6-12)8-15-14(9-18)16(22-21-15)20-10-13-2-1-7-19-13/h1-11,14H,12H2,(H,26,27);3-10,13H,2,11H2,1H3,(H,24,25);2-9,12H,10H2,1H3,(H,23,24);2*2-9,12H,10H2,1H3,(H,23,24);1-7,10,19H,8H2,(H,21,22)/b25-14+;23-13+;3*22-12+;20-10+.

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

5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile has a molecular weight of 2049.87 g/mol, XLogP of 27.33, 26 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 161051447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).