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

C23H23Cl2N7O — CID 162440046

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

1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide (PubChem CID 162440046) has the molecular formula C23H23Cl2N7O and a molecular weight of 484.39 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide
• PubChem CID: 162440046
• Molecular Formula: C23H23Cl2N7O
• Molecular Weight: 484.39 g/mol
• Exact Mass: 483.13
• IUPAC Name: 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide
• SMILES: CN(C)CCn1ccnc1-c1ccc(Nc2cn(-c3c(Cl)cccc3Cl)nc2C(N)=O)cc1
• InChI: InChI=1S/C23H23Cl2N7O/c1-30(2)12-13-31-11-10-27-23(31)15-6-8-16(9-7-15)28-19-14-32(29-20(19)22(26)33)21-17(24)4-3-5-18(21)25/h3-11,14,28H,12-13H2,1-2H3,(H2,26,33)
• InChIKey: BKMRUQWKUKKKAM-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 94.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.39
LogP ≤ 5	4.45
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]imidazol-2-yl]anilino]pyrazole-3-carboxamide?

The IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide (CID 162440046) is 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide is CN(C)CCn1ccnc1-c1ccc(Nc2cn(-c3c(Cl)cccc3Cl)nc2C(N)=O)cc1.

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

The InChIKey is BKMRUQWKUKKKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N7O/c1-30(2)12-13-31-11-10-27-23(31)15-6-8-16(9-7-15)28-19-14-32(29-20(19)22(26)33)21-17(24)4-3-5-18(21)25/h3-11,14,28H,12-13H2,1-2H3,(H2,26,33).

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

1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide has a molecular weight of 484.39 g/mol, XLogP of 4.45, 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]imidazol-2-yl]anilino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).