1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea

C17H24N6O — CID 128989505

About 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea

1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea (PubChem CID 128989505) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
• PubChem CID: 128989505
• Molecular Formula: C17H24N6O
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.20
• IUPAC Name: 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
• SMILES: Cc1[nH]ncc1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1
• InChI: InChI=1S/C17H24N6O/c1-12-15(11-21-22-12)10-20-17(24)19-9-14-5-7-23(2)16(14)13-4-3-6-18-8-13/h3-4,6,8,11,14,16H,5,7,9-10H2,1-2H3,(H,21,22)(H2,19,20,24)/t14-,16-/m0/s1
• InChIKey: OLSVHNZISPRXGX-HOCLYGCPSA-N
• XLogP: 1.61
• TPSA: 85.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.42
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea?

The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea (CID 128989505) is 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea.

What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea?

The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea is Cc1[nH]ncc1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1.

What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea?

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

What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea?

1-[(5-methyl-1H-pyrazol-4-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 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 128989505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).