5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide

C25H24N6O3S — CID 20595105

About 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide

5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide (PubChem CID 20595105) has the molecular formula C25H24N6O3S and a molecular weight of 488.57 g/mol. Its IUPAC name is 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide
• PubChem CID: 20595105
• Molecular Formula: C25H24N6O3S
• Molecular Weight: 488.57 g/mol
• Exact Mass: 488.16
• IUPAC Name: 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2)n(-c2cc3ccccc3cc2S(N)(=O)=O)n1
• InChI: InChI=1S/C25H24N6O3S/c1-16-13-22(25(32)28-20-9-7-17(8-10-20)24-27-11-12-30(24)2)31(29-16)21-14-18-5-3-4-6-19(18)15-23(21)35(26,33)34/h3-10,13-15H,11-12H2,1-2H3,(H,28,32)(H2,26,33,34)
• InChIKey: VLUVETGKUWFYMM-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 122.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.57
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide?

The IUPAC name of 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide (CID 20595105) is 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide.

What is the SMILES notation for 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide?

The canonical SMILES for 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2)n(-c2cc3ccccc3cc2S(N)(=O)=O)n1.

What is the InChIKey of 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide?

The InChIKey is VLUVETGKUWFYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3S/c1-16-13-22(25(32)28-20-9-7-17(8-10-20)24-27-11-12-30(24)2)31(29-16)21-14-18-5-3-4-6-19(18)15-23(21)35(26,33)34/h3-10,13-15H,11-12H2,1-2H3,(H,28,32)(H2,26,33,34).

What are the key properties of 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide?

5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-(3-sulfamoylnaphthalen-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 20595105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).