1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone

C17H25N5O — CID 97328998

About 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone

1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone (PubChem CID 97328998) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone
• PubChem CID: 97328998
• Molecular Formula: C17H25N5O
• Molecular Weight: 315.42 g/mol
• Exact Mass: 315.21
• IUPAC Name: 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone
• SMILES: CC(C)n1ccnc1CN1CCC[C@H]1CC(=O)c1cnn(C)c1
• InChI: InChI=1S/C17H25N5O/c1-13(2)22-8-6-18-17(22)12-21-7-4-5-15(21)9-16(23)14-10-19-20(3)11-14/h6,8,10-11,13,15H,4-5,7,9,12H2,1-3H3/t15-/m0/s1
• InChIKey: YHTFETXWYOLJAM-HNNXBMFYSA-N
• XLogP: 2.43
• TPSA: 55.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.42
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone?

The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone (CID 97328998) is 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone.

What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone?

The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone is CC(C)n1ccnc1CN1CCC[C@H]1CC(=O)c1cnn(C)c1.

What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone?

The InChIKey is YHTFETXWYOLJAM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(2)22-8-6-18-17(22)12-21-7-4-5-15(21)9-16(23)14-10-19-20(3)11-14/h6,8,10-11,13,15H,4-5,7,9,12H2,1-3H3/t15-/m0/s1.

What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone?

1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone has a molecular weight of 315.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 97328998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).