3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide

C30H32N4O3 — CID 25479424

About 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide

3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 25479424) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
• PubChem CID: 25479424
• Molecular Formula: C30H32N4O3
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.25
• IUPAC Name: 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
• SMILES: COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1
• InChI: InChI=1S/C30H32N4O3/c1-36-27-16-8-6-14-23(27)26(33-18-10-11-19-33)20-31-30(35)25-21-34(22-12-4-3-5-13-22)32-29(25)24-15-7-9-17-28(24)37-2/h3-9,12-17,21,26H,10-11,18-20H2,1-2H3,(H,31,35)/t26-/m0/s1
• InChIKey: RIWBIQXCTFHXDY-SANMLTNESA-N
• XLogP: 5.12
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide?

The IUPAC name of 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide (CID 25479424) is 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide.

What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide?

The canonical SMILES for 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1.

What is the InChIKey of 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide?

The InChIKey is RIWBIQXCTFHXDY-SANMLTNESA-N. The full InChI is InChI=1S/C30H32N4O3/c1-36-27-16-8-6-14-23(27)26(33-18-10-11-19-33)20-31-30(35)25-21-34(22-12-4-3-5-13-22)32-29(25)24-15-7-9-17-28(24)37-2/h3-9,12-17,21,26H,10-11,18-20H2,1-2H3,(H,31,35)/t26-/m0/s1.

What are the key properties of 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide?

3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 25479424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).