2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile

C105H105Cl5N20 — CID 167655374

About 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile

2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile (PubChem CID 167655374) has the molecular formula C105H105Cl5N20 and a molecular weight of 1824.40 g/mol. Its IUPAC name is 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile.

Molecular Properties

• Compound Name: 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile
• PubChem CID: 167655374
• Molecular Formula: C105H105Cl5N20
• Molecular Weight: 1824.40 g/mol
• Exact Mass: 1820.73
• IUPAC Name: 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile
• SMILES: CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)cnn2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)nn(C)c2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2nn(C)cc2C)ccc1C.Cc1ccc(-c2c(C)n[nH]c2C)cc1N(C)c1ccc(C#N)c(Cl)c1.Cc1ccc(-c2c(C)nn(C)c2C)cc1N(C)c1ccc(C#N)c(Cl)c1
• InChI: InChI=1S/C22H23ClN4.3C21H21ClN4.C20H19ClN4/c1-6-27(19-10-9-18(13-24)20(23)12-19)21-11-17(8-7-14(21)2)22-15(3)25-26(5)16(22)4;1-13-6-7-16(21-14(2)24-26(5)15(21)3)10-20(13)25(4)18-9-8-17(12-23)19(22)11-18;1-5-26(18-9-8-17(12-23)19(22)11-18)20-10-16(7-6-14(20)2)21-15(3)13-25(4)24-21;1-5-26(18-9-8-17(12-23)19(22)11-18)20-10-16(7-6-14(20)2)21-15(3)13-24-25(21)4;1-12-5-6-15(20-13(2)23-24-14(20)3)9-19(12)25(4)17-8-7-16(11-22)18(21)10-17/h7-12H,6H2,1-5H3;6-11H,1-5H3;2*6-11,13H,5H2,1-4H3;5-10H,1-4H3,(H,23,24)
• InChIKey: REHLKWCAVSINDC-UHFFFAOYSA-N
• XLogP: 27.07
• TPSA: 235.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1824.40
LogP ≤ 5	27.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile?

The IUPAC name of 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile (CID 167655374) is 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile.

What is the SMILES notation for 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile?

The canonical SMILES for 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile is CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)cnn2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)nn(C)c2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2nn(C)cc2C)ccc1C.Cc1ccc(-c2c(C)n[nH]c2C)cc1N(C)c1ccc(C#N)c(Cl)c1.Cc1ccc(-c2c(C)nn(C)c2C)cc1N(C)c1ccc(C#N)c(Cl)c1.

What is the InChIKey of 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile?

The InChIKey is REHLKWCAVSINDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4.3C21H21ClN4.C20H19ClN4/c1-6-27(19-10-9-18(13-24)20(23)12-19)21-11-17(8-7-14(21)2)22-15(3)25-26(5)16(22)4;1-13-6-7-16(21-14(2)24-26(5)15(21)3)10-20(13)25(4)18-9-8-17(12-23)19(22)11-18;1-5-26(18-9-8-17(12-23)19(22)11-18)20-10-16(7-6-14(20)2)21-15(3)13-25(4)24-21;1-5-26(18-9-8-17(12-23)19(22)11-18)20-10-16(7-6-14(20)2)21-15(3)13-24-25(21)4;1-12-5-6-15(20-13(2)23-24-14(20)3)9-19(12)25(4)17-8-7-16(11-22)18(21)10-17/h7-12H,6H2,1-5H3;6-11H,1-5H3;2*6-11,13H,5H2,1-4H3;5-10H,1-4H3,(H,23,24).

What are the key properties of 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile?

2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile has a molecular weight of 1824.40 g/mol, XLogP of 27.07, 18 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-3-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(1,4-dimethylpyrazol-5-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N,2-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile is sourced from PubChem (CID 167655374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).