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

C23H19Cl2F3N6O — CID 162440488

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

1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide (PubChem CID 162440488) has the molecular formula C23H19Cl2F3N6O and a molecular weight of 523.35 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
• PubChem CID: 162440488
• Molecular Formula: C23H19Cl2F3N6O
• Molecular Weight: 523.35 g/mol
• Exact Mass: 522.09
• IUPAC Name: 1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
• SMILES: CCCn1cc(C(F)(F)F)nc1-c1ccc(Nc2cn(-c3c(Cl)cccc3Cl)nc2C(N)=O)cc1
• InChI: InChI=1S/C23H19Cl2F3N6O/c1-2-10-33-12-18(23(26,27)28)31-22(33)13-6-8-14(9-7-13)30-17-11-34(32-19(17)21(29)35)20-15(24)4-3-5-16(20)25/h3-9,11-12,30H,2,10H2,1H3,(H2,29,35)
• InChIKey: YCQWHEOBXWSIMZ-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 90.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.35
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide (CID 162440488) is 1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide is CCCn1cc(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-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide?

The InChIKey is YCQWHEOBXWSIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N6O/c1-2-10-33-12-18(23(26,27)28)31-22(33)13-6-8-14(9-7-13)30-17-11-34(32-19(17)21(29)35)20-15(24)4-3-5-16(20)25/h3-9,11-12,30H,2,10H2,1H3,(H2,29,35).

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

1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide has a molecular weight of 523.35 g/mol, XLogP of 6.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).