5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile

C113H95Cl7FN27O2 — CID 160953190

About 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile

5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile (PubChem CID 160953190) has the molecular formula C113H95Cl7FN27O2 and a molecular weight of 2130.36 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
• PubChem CID: 160953190
• Molecular Formula: C113H95Cl7FN27O2
• Molecular Weight: 2130.36 g/mol
• Exact Mass: 2125.60
• IUPAC Name: 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
• SMILES: CN1CCC(C/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)CC1.COc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)cc1F.Cc1cc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)cc(C)c1C.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)c(O)c1.Cc1cccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)n1.N#Cc1c(/N=C/c2cccnc2Cl)n[nH]c1Cc1cccc(Cl)c1
• InChI: InChI=1S/C21H19ClN4.C19H14ClFN4O.C19H22ClN5.C19H15ClN4O.C18H14ClN5.C17H11Cl2N5/c1-13-7-17(8-14(2)15(13)3)12-24-21-19(11-23)20(25-26-21)10-16-5-4-6-18(22)9-16;1-26-18-6-5-13(8-16(18)21)11-23-19-15(10-22)17(24-25-19)9-12-3-2-4-14(20)7-12;1-25-9-6-14(7-10-25)5-8-22-19-17(13-21)18(23-24-19)12-15-3-2-4-16(20)11-15;1-12-5-6-14(18(25)7-12)11-22-19-16(10-21)17(23-24-19)9-13-3-2-4-15(20)8-13;1-12-4-2-7-15(22-12)11-21-18-16(10-20)17(23-24-18)9-13-5-3-6-14(19)8-13;18-13-5-1-3-11(7-13)8-15-14(9-20)17(24-23-15)22-10-12-4-2-6-21-16(12)19/h4-9,12H,10H2,1-3H3,(H,25,26);2-8,11H,9H2,1H3,(H,24,25);2-4,8,11,14H,5-7,9-10,12H2,1H3,(H,23,24);2-8,11,25H,9H2,1H3,(H,23,24);2-8,11H,9H2,1H3,(H,23,24);1-7,10H,8H2,(H,23,24)/b24-12+;23-11+;22-8+;22-11+;21-11+;22-10+
• InChIKey: SWAOXQPNSRNWOY-MYDKNZIQSA-N
• XLogP: 26.18
• TPSA: 447.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2130.36
LogP ≤ 5	26.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?

The IUPAC name of 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile (CID 160953190) is 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile.

What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?

The canonical SMILES for 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile is CN1CCC(C/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)CC1.COc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)cc1F.Cc1cc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)cc(C)c1C.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)c(O)c1.Cc1cccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)n1.N#Cc1c(/N=C/c2cccnc2Cl)n[nH]c1Cc1cccc(Cl)c1.

What is the InChIKey of 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?

The InChIKey is SWAOXQPNSRNWOY-MYDKNZIQSA-N. The full InChI is InChI=1S/C21H19ClN4.C19H14ClFN4O.C19H22ClN5.C19H15ClN4O.C18H14ClN5.C17H11Cl2N5/c1-13-7-17(8-14(2)15(13)3)12-24-21-19(11-23)20(25-26-21)10-16-5-4-6-18(22)9-16;1-26-18-6-5-13(8-16(18)21)11-23-19-15(10-22)17(24-25-19)9-12-3-2-4-14(20)7-12;1-25-9-6-14(7-10-25)5-8-22-19-17(13-21)18(23-24-19)12-15-3-2-4-16(20)11-15;1-12-5-6-14(18(25)7-12)11-22-19-16(10-21)17(23-24-19)9-13-3-2-4-15(20)8-13;1-12-4-2-7-15(22-12)11-21-18-16(10-20)17(23-24-18)9-13-5-3-6-14(19)8-13;18-13-5-1-3-11(7-13)8-15-14(9-20)17(24-23-15)22-10-12-4-2-6-21-16(12)19/h4-9,12H,10H2,1-3H3,(H,25,26);2-8,11H,9H2,1H3,(H,24,25);2-4,8,11,14H,5-7,9-10,12H2,1H3,(H,23,24);2-8,11,25H,9H2,1H3,(H,23,24);2-8,11H,9H2,1H3,(H,23,24);1-7,10H,8H2,(H,23,24)/b24-12+;23-11+;22-8+;22-11+;21-11+;22-10+.

What are the key properties of 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?

5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile has a molecular weight of 2130.36 g/mol, XLogP of 26.18, 26 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 160953190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).