1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide

C24H22Cl2F3N7O — CID 162440450

About 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide

1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide (PubChem CID 162440450) has the molecular formula C24H22Cl2F3N7O and a molecular weight of 552.39 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
• PubChem CID: 162440450
• Molecular Formula: C24H22Cl2F3N7O
• Molecular Weight: 552.39 g/mol
• Exact Mass: 551.12
• IUPAC Name: 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
• SMILES: CN(C)CCn1cc(C(F)(F)F)nc1-c1ccc(Nc2cn(-c3c(Cl)cccc3Cl)nc2C(N)=O)cc1
• InChI: InChI=1S/C24H22Cl2F3N7O/c1-34(2)10-11-35-13-19(24(27,28)29)32-23(35)14-6-8-15(9-7-14)31-18-12-36(33-20(18)22(30)37)21-16(25)4-3-5-17(21)26/h3-9,12-13,31H,10-11H2,1-2H3,(H2,30,37)
• InChIKey: RDRIBRFVWADYLW-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 94.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.39
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide?

The IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide (CID 162440450) is 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide.

What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide?

The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide is CN(C)CCn1cc(C(F)(F)F)nc1-c1ccc(Nc2cn(-c3c(Cl)cccc3Cl)nc2C(N)=O)cc1.

What is the InChIKey of 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide?

The InChIKey is RDRIBRFVWADYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2F3N7O/c1-34(2)10-11-35-13-19(24(27,28)29)32-23(35)14-6-8-15(9-7-14)31-18-12-36(33-20(18)22(30)37)21-16(25)4-3-5-17(21)26/h3-9,12-13,31H,10-11H2,1-2H3,(H2,30,37).

What are the key properties of 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide?

1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide has a molecular weight of 552.39 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).