1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea

C24H29N5O — CID 86902514

About 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea

1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea (PubChem CID 86902514) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
• PubChem CID: 86902514
• Molecular Formula: C24H29N5O
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.24
• IUPAC Name: 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
• SMILES: Cc1cc(C)n(Cc2cccc(NC(=O)NCC3CCN(c4ccccc4)C3)c2)n1
• InChI: InChI=1S/C24H29N5O/c1-18-13-19(2)29(27-18)17-20-7-6-8-22(14-20)26-24(30)25-15-21-11-12-28(16-21)23-9-4-3-5-10-23/h3-10,13-14,21H,11-12,15-17H2,1-2H3,(H2,25,26,30)
• InChIKey: WNKPSVCMOOVOCE-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 62.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?

The IUPAC name of 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea (CID 86902514) is 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea.

What is the SMILES notation for 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?

The canonical SMILES for 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea is Cc1cc(C)n(Cc2cccc(NC(=O)NCC3CCN(c4ccccc4)C3)c2)n1.

What is the InChIKey of 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?

The InChIKey is WNKPSVCMOOVOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-18-13-19(2)29(27-18)17-20-7-6-8-22(14-20)26-24(30)25-15-21-11-12-28(16-21)23-9-4-3-5-10-23/h3-10,13-14,21H,11-12,15-17H2,1-2H3,(H2,25,26,30).

What are the key properties of 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea?

1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea has a molecular weight of 403.53 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 86902514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).