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

C17H24N6O — CID 128974623

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

1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea (PubChem CID 128974623) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
• PubChem CID: 128974623
• Molecular Formula: C17H24N6O
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.20
• IUPAC Name: 1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
• SMILES: CN1CC[C@@H](CNC(=O)NCc2ccnn2C)[C@@H]1c1cccnc1
• InChI: InChI=1S/C17H24N6O/c1-22-9-6-14(16(22)13-4-3-7-18-10-13)11-19-17(24)20-12-15-5-8-21-23(15)2/h3-5,7-8,10,14,16H,6,9,11-12H2,1-2H3,(H2,19,20,24)/t14-,16-/m0/s1
• InChIKey: RUCLMRMMIMPIES-HOCLYGCPSA-N
• XLogP: 1.31
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.42
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea (CID 128974623) is 1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea.

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

The canonical SMILES for 1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea is CN1CC[C@@H](CNC(=O)NCc2ccnn2C)[C@@H]1c1cccnc1.

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

The InChIKey is RUCLMRMMIMPIES-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H24N6O/c1-22-9-6-14(16(22)13-4-3-7-18-10-13)11-19-17(24)20-12-15-5-8-21-23(15)2/h3-5,7-8,10,14,16H,6,9,11-12H2,1-2H3,(H2,19,20,24)/t14-,16-/m0/s1.

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

1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 128974623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).