N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine

C16H23N5 — CID 128997727

About N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine

N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine (PubChem CID 128997727) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine.

Molecular Properties

• Compound Name: N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
• PubChem CID: 128997727
• Molecular Formula: C16H23N5
• Molecular Weight: 285.39 g/mol
• Exact Mass: 285.20
• IUPAC Name: N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
• SMILES: CN1CC[C@@H](CNCc2ccnn2C)[C@@H]1c1cccnc1
• InChI: InChI=1S/C16H23N5/c1-20-9-6-14(16(20)13-4-3-7-17-10-13)11-18-12-15-5-8-19-21(15)2/h3-5,7-8,10,14,16,18H,6,9,11-12H2,1-2H3/t14-,16-/m0/s1
• InChIKey: DUBKONUHPGRAAC-HOCLYGCPSA-N
• XLogP: 1.60
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.39
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?

The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine (CID 128997727) is N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine.

What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?

The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine is CN1CC[C@@H](CNCc2ccnn2C)[C@@H]1c1cccnc1.

What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?

The InChIKey is DUBKONUHPGRAAC-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H23N5/c1-20-9-6-14(16(20)13-4-3-7-17-10-13)11-18-12-15-5-8-19-21(15)2/h3-5,7-8,10,14,16,18H,6,9,11-12H2,1-2H3/t14-,16-/m0/s1.

What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?

N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 128997727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).