1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide

C25H21F3N8O2 — CID 163215261

About 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide

1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide (PubChem CID 163215261) has the molecular formula C25H21F3N8O2 and a molecular weight of 522.49 g/mol. Its IUPAC name is 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide
• PubChem CID: 163215261
• Molecular Formula: C25H21F3N8O2
• Molecular Weight: 522.49 g/mol
• Exact Mass: 522.17
• IUPAC Name: 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide
• SMILES: Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5cnn(C)c5)n[nH]c4c3)cn2)cc1C(F)(F)F
• InChI: InChI=1S/C25H21F3N8O2/c1-14-3-5-18(8-20(14)25(26,27)28)31-22(37)13-36-12-16(9-30-36)15-4-6-19-21(7-15)33-34-23(19)32-24(38)17-10-29-35(2)11-17/h3-12H,13H2,1-2H3,(H,31,37)(H2,32,33,34,38)
• InChIKey: FBUQAQFCVKLDNZ-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 122.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.49
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide?

The IUPAC name of 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide (CID 163215261) is 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide?

The canonical SMILES for 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide is Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5cnn(C)c5)n[nH]c4c3)cn2)cc1C(F)(F)F.

What is the InChIKey of 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide?

The InChIKey is FBUQAQFCVKLDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N8O2/c1-14-3-5-18(8-20(14)25(26,27)28)31-22(37)13-36-12-16(9-30-36)15-4-6-19-21(7-15)33-34-23(19)32-24(38)17-10-29-35(2)11-17/h3-12H,13H2,1-2H3,(H,31,37)(H2,32,33,34,38).

What are the key properties of 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide?

1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 522.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 163215261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).