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

C15H24FN7 — CID 128966835

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

1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine (PubChem CID 128966835) has the molecular formula C15H24FN7 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine
• PubChem CID: 128966835
• Molecular Formula: C15H24FN7
• Molecular Weight: 321.40 g/mol
• Exact Mass: 321.21
• IUPAC Name: 1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine
• SMILES: CN(Cc1cnnn1C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C
• InChI: InChI=1S/C15H24FN7/c1-20(10-15-7-17-19-22(15)3)9-14-6-12(16)8-23(14)11-13-4-5-18-21(13)2/h4-5,7,12,14H,6,8-11H2,1-3H3/t12-,14-/m0/s1
• InChIKey: ZMWWFCFNKVXRMY-JSGCOSHPSA-N
• XLogP: 0.59
• TPSA: 55.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.40
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine (CID 128966835) is 1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine.

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

The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine is CN(Cc1cnnn1C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C.

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

The InChIKey is ZMWWFCFNKVXRMY-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H24FN7/c1-20(10-15-7-17-19-22(15)3)9-14-6-12(16)8-23(14)11-13-4-5-18-21(13)2/h4-5,7,12,14H,6,8-11H2,1-3H3/t12-,14-/m0/s1.

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

1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine has a molecular weight of 321.40 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 128966835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).