1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide

C23H28N4O2 — CID 41117308

About 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide

1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 41117308) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
• PubChem CID: 41117308
• Molecular Formula: C23H28N4O2
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.22
• IUPAC Name: 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
• SMILES: Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccco1)N1CCCC1
• InChI: InChI=1S/C23H28N4O2/c1-17-22(18(2)27(25-17)16-19-9-4-3-5-10-19)23(28)24-15-20(21-11-8-14-29-21)26-12-6-7-13-26/h3-5,8-11,14,20H,6-7,12-13,15-16H2,1-2H3,(H,24,28)/t20-/m0/s1
• InChIKey: IXJSZEHFEOZJGL-FQEVSTJZSA-N
• XLogP: 3.71
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?

The IUPAC name of 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide (CID 41117308) is 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide.

What is the SMILES notation for 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?

The canonical SMILES for 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccco1)N1CCCC1.

What is the InChIKey of 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?

The InChIKey is IXJSZEHFEOZJGL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-22(18(2)27(25-17)16-19-9-4-3-5-10-19)23(28)24-15-20(21-11-8-14-29-21)26-12-6-7-13-26/h3-5,8-11,14,20H,6-7,12-13,15-16H2,1-2H3,(H,24,28)/t20-/m0/s1.

What are the key properties of 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?

1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 41117308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).