1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea

C19H26N6O2 — CID 97269043

About 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea

1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 97269043) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea
• PubChem CID: 97269043
• Molecular Formula: C19H26N6O2
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.21
• IUPAC Name: 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea
• SMILES: Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2ccc(N3CCN(C)C3=O)cc2)n1
• InChI: InChI=1S/C19H26N6O2/c1-13-11-15(3)25(22-13)12-14(2)20-18(26)21-16-5-7-17(8-6-16)24-10-9-23(4)19(24)27/h5-8,11,14H,9-10,12H2,1-4H3,(H2,20,21,26)/t14-/m1/s1
• InChIKey: PVZLUDBVCKJHIH-CQSZACIVSA-N
• XLogP: 2.58
• TPSA: 82.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea?

The IUPAC name of 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea (CID 97269043) is 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea.

What is the SMILES notation for 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea?

The canonical SMILES for 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea is Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2ccc(N3CCN(C)C3=O)cc2)n1.

What is the InChIKey of 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea?

The InChIKey is PVZLUDBVCKJHIH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-11-15(3)25(22-13)12-14(2)20-18(26)21-16-5-7-17(8-6-16)24-10-9-23(4)19(24)27/h5-8,11,14H,9-10,12H2,1-4H3,(H2,20,21,26)/t14-/m1/s1.

What are the key properties of 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea?

1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 370.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 97269043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).