1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

C25H27N5O2 — CID 146122528

About 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea

1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea (PubChem CID 146122528) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea.

Molecular Properties

• Compound Name: 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
• PubChem CID: 146122528
• Molecular Formula: C25H27N5O2
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.22
• IUPAC Name: 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
• SMILES: O=C(NCc1cccc(CN2CCCC2=O)c1)Nc1cc(C2CC2)nn1-c1ccccc1
• InChI: InChI=1S/C25H27N5O2/c31-24-10-5-13-29(24)17-19-7-4-6-18(14-19)16-26-25(32)27-23-15-22(20-11-12-20)28-30(23)21-8-2-1-3-9-21/h1-4,6-9,14-15,20H,5,10-13,16-17H2,(H2,26,27,32)
• InChIKey: NKGZUSCPXWTPDQ-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?

The IUPAC name of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea (CID 146122528) is 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea.

What is the SMILES notation for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?

The canonical SMILES for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea is O=C(NCc1cccc(CN2CCCC2=O)c1)Nc1cc(C2CC2)nn1-c1ccccc1.

What is the InChIKey of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?

The InChIKey is NKGZUSCPXWTPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c31-24-10-5-13-29(24)17-19-7-4-6-18(14-19)16-26-25(32)27-23-15-22(20-11-12-20)28-30(23)21-8-2-1-3-9-21/h1-4,6-9,14-15,20H,5,10-13,16-17H2,(H2,26,27,32).

What are the key properties of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea?

1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea has a molecular weight of 429.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 146122528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).