3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide

C28H24F3N5O2 — CID 118960015

About 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide

3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide (PubChem CID 118960015) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide
• PubChem CID: 118960015
• Molecular Formula: C28H24F3N5O2
• Molecular Weight: 519.53 g/mol
• Exact Mass: 519.19
• IUPAC Name: 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide
• SMILES: Cn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)NCc5ccccc5OCC(F)(F)F)cc34)cc2)cn1
• InChI: InChI=1S/C28H24F3N5O2/c1-36-16-22(15-33-36)19-8-6-18(7-9-19)12-25-23-13-20(10-11-24(23)34-35-25)27(37)32-14-21-4-2-3-5-26(21)38-17-28(29,30)31/h2-11,13,15-16H,12,14,17H2,1H3,(H,32,37)(H,34,35)
• InChIKey: WXVZDHRNKHEQTA-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 84.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.53
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide?

The IUPAC name of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide (CID 118960015) is 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide.

What is the SMILES notation for 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide?

The canonical SMILES for 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)NCc5ccccc5OCC(F)(F)F)cc34)cc2)cn1.

What is the InChIKey of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide?

The InChIKey is WXVZDHRNKHEQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c1-36-16-22(15-33-36)19-8-6-18(7-9-19)12-25-23-13-20(10-11-24(23)34-35-25)27(37)32-14-21-4-2-3-5-26(21)38-17-28(29,30)31/h2-11,13,15-16H,12,14,17H2,1H3,(H,32,37)(H,34,35).

What are the key properties of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide?

3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide has a molecular weight of 519.53 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 118960015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).