N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C22H16F6N4O — CID 24663736

About N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 24663736) has the molecular formula C22H16F6N4O and a molecular weight of 466.39 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
• PubChem CID: 24663736
• Molecular Formula: C22H16F6N4O
• Molecular Weight: 466.39 g/mol
• Exact Mass: 466.12
• IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
• SMILES: O=C(NCCc1c[nH]c2ccccc12)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F
• InChI: InChI=1S/C22H16F6N4O/c23-21(24,25)14-4-3-5-15(10-14)32-19(22(26,27)28)17(12-31-32)20(33)29-9-8-13-11-30-18-7-2-1-6-16(13)18/h1-7,10-12,30H,8-9H2,(H,29,33)
• InChIKey: LHAQKZQUQKJMKT-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 62.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.39
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 24663736) is N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F.

What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The InChIKey is LHAQKZQUQKJMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N4O/c23-21(24,25)14-4-3-5-15(10-14)32-19(22(26,27)28)17(12-31-32)20(33)29-9-8-13-11-30-18-7-2-1-6-16(13)18/h1-7,10-12,30H,8-9H2,(H,29,33).

What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 466.39 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24663736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).