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

C114H123Cl5N20 — CID 164962429

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

2-chloro-4-[5-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile (PubChem CID 164962429) has the molecular formula C114H123Cl5N20 and a molecular weight of 1950.64 g/mol. Its IUPAC name is 2-chloro-4-[5-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylanilino]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-1-propan-2-ylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile
• PubChem CID: 164962429
• Molecular Formula: C114H123Cl5N20
• Molecular Weight: 1950.64 g/mol
• Exact Mass: 1946.87
• IUPAC Name: 2-chloro-4-[5-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile
• SMILES: CCCn1nc(C)c(-c2ccc(C)c(N(CC)c3ccc(C#N)c(Cl)c3)c2)c1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)n[nH]c2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)nn(C(C)C)c2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)nn(C)c2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)nn(CC)c2C)ccc1C
• InChI: InChI=1S/2C24H27ClN4.C23H25ClN4.C22H23ClN4.C21H21ClN4/c1-7-28(21-11-10-20(14-26)22(25)13-21)23-12-19(9-8-16(23)4)24-17(5)27-29(15(2)3)18(24)6;1-6-12-29-18(5)24(17(4)27-29)19-9-8-16(3)23(13-19)28(7-2)21-11-10-20(15-26)22(25)14-21;1-6-27(20-11-10-19(14-25)21(24)13-20)22-12-18(9-8-15(22)3)23-16(4)26-28(7-2)17(23)5;1-6-27(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;1-5-26(18-9-8-17(12-23)19(22)11-18)20-10-16(7-6-13(20)2)21-14(3)24-25-15(21)4/h8-13,15H,7H2,1-6H3;8-11,13-14H,6-7,12H2,1-5H3;8-13H,6-7H2,1-5H3;7-12H,6H2,1-5H3;6-11H,5H2,1-4H3,(H,24,25)
• InChIKey: CAFYQEQYLZWHRI-UHFFFAOYSA-N
• XLogP: 30.87
• TPSA: 235.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.64
LogP ≤ 5	30.87
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-1-propan-2-ylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylanilino]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-1-propan-2-ylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile (CID 164962429) is 2-chloro-4-[5-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylanilino]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-1-propan-2-ylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylanilino]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-1-propan-2-ylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile is CCCn1nc(C)c(-c2ccc(C)c(N(CC)c3ccc(C#N)c(Cl)c3)c2)c1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)n[nH]c2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)nn(C(C)C)c2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)nn(C)c2C)ccc1C.CCN(c1ccc(C#N)c(Cl)c1)c1cc(-c2c(C)nn(CC)c2C)ccc1C.

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

The InChIKey is CAFYQEQYLZWHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27ClN4.C23H25ClN4.C22H23ClN4.C21H21ClN4/c1-7-28(21-11-10-20(14-26)22(25)13-21)23-12-19(9-8-16(23)4)24-17(5)27-29(15(2)3)18(24)6;1-6-12-29-18(5)24(17(4)27-29)19-9-8-16(3)23(13-19)28(7-2)21-11-10-20(15-26)22(25)14-21;1-6-27(20-11-10-19(14-25)21(24)13-20)22-12-18(9-8-15(22)3)23-16(4)26-28(7-2)17(23)5;1-6-27(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;1-5-26(18-9-8-17(12-23)19(22)11-18)20-10-16(7-6-13(20)2)21-14(3)24-25-15(21)4/h8-13,15H,7H2,1-6H3;8-11,13-14H,6-7,12H2,1-5H3;8-13H,6-7H2,1-5H3;7-12H,6H2,1-5H3;6-11H,5H2,1-4H3,(H,24,25).

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

2-chloro-4-[5-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile has a molecular weight of 1950.64 g/mol, XLogP of 30.87, 24 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-1-propan-2-ylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylanilino]benzonitrile;2-chloro-4-[N-ethyl-2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)anilino]benzonitrile is sourced from PubChem (CID 164962429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).