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

C22H17Cl2F3N6O2 — CID 162440287

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

1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide (PubChem CID 162440287) has the molecular formula C22H17Cl2F3N6O2 and a molecular weight of 525.32 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
• PubChem CID: 162440287
• Molecular Formula: C22H17Cl2F3N6O2
• Molecular Weight: 525.32 g/mol
• Exact Mass: 524.07
• IUPAC Name: 1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
• SMILES: NC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1ccc(-c2nc(C(F)(F)F)cn2CCO)cc1
• InChI: InChI=1S/C22H17Cl2F3N6O2/c23-14-2-1-3-15(24)19(14)33-10-16(18(31-33)20(28)35)29-13-6-4-12(5-7-13)21-30-17(22(25,26)27)11-32(21)8-9-34/h1-7,10-11,29,34H,8-9H2,(H2,28,35)
• InChIKey: BJKJSVHFSHVTEA-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 110.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.32
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide (CID 162440287) is 1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide is NC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1ccc(-c2nc(C(F)(F)F)cn2CCO)cc1.

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

The InChIKey is BJKJSVHFSHVTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F3N6O2/c23-14-2-1-3-15(24)19(14)33-10-16(18(31-33)20(28)35)29-13-6-4-12(5-7-13)21-30-17(22(25,26)27)11-32(21)8-9-34/h1-7,10-11,29,34H,8-9H2,(H2,28,35).

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

1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide has a molecular weight of 525.32 g/mol, XLogP of 4.90, 7 rotatable bonds, 3 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-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).