N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

C28H25FN4O3 — CID 46429772

About N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 46429772) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
• PubChem CID: 46429772
• Molecular Formula: C28H25FN4O3
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.19
• IUPAC Name: N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
• SMILES: COc1cccc(C(CNC(=O)c2ccn(-c3ccc(F)cc3)n2)c2c[nH]c3ccccc23)c1OC
• InChI: InChI=1S/C28H25FN4O3/c1-35-26-9-5-7-21(27(26)36-2)23(22-16-30-24-8-4-3-6-20(22)24)17-31-28(34)25-14-15-33(32-25)19-12-10-18(29)11-13-19/h3-16,23,30H,17H2,1-2H3,(H,31,34)
• InChIKey: IGHHNLCOLHBZLT-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 81.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?

The IUPAC name of N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 46429772) is N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

What is the SMILES notation for N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?

The canonical SMILES for N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is COc1cccc(C(CNC(=O)c2ccn(-c3ccc(F)cc3)n2)c2c[nH]c3ccccc23)c1OC.

What is the InChIKey of N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?

The InChIKey is IGHHNLCOLHBZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-35-26-9-5-7-21(27(26)36-2)23(22-16-30-24-8-4-3-6-20(22)24)17-31-28(34)25-14-15-33(32-25)19-12-10-18(29)11-13-19/h3-16,23,30H,17H2,1-2H3,(H,31,34).

What are the key properties of N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?

N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46429772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).