N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine

C16H25FN6 — CID 154743465

About N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine

N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 154743465) has the molecular formula C16H25FN6 and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

• Compound Name: N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
• PubChem CID: 154743465
• Molecular Formula: C16H25FN6
• Molecular Weight: 320.42 g/mol
• Exact Mass: 320.21
• IUPAC Name: N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
• SMILES: CCn1nccc1CNC[C@@H]1C[C@H](F)CN1Cc1nccn1C
• InChI: InChI=1S/C16H25FN6/c1-3-23-14(4-5-20-23)9-18-10-15-8-13(17)11-22(15)12-16-19-6-7-21(16)2/h4-7,13,15,18H,3,8-12H2,1-2H3/t13-,15-/m0/s1
• InChIKey: OKNLOEONROZQER-ZFWWWQNUSA-N
• XLogP: 1.34
• TPSA: 50.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.42
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?

The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine (CID 154743465) is N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine.

What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?

The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine is CCn1nccc1CNC[C@@H]1C[C@H](F)CN1Cc1nccn1C.

What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?

The InChIKey is OKNLOEONROZQER-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H25FN6/c1-3-23-14(4-5-20-23)9-18-10-15-8-13(17)11-22(15)12-16-19-6-7-21(16)2/h4-7,13,15,18H,3,8-12H2,1-2H3/t13-,15-/m0/s1.

What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?

N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 320.42 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 154743465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).