1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea

C22H26N4O2 — CID 51943952

About 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea (PubChem CID 51943952) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea.

Molecular Properties

• Compound Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea
• PubChem CID: 51943952
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea
• SMILES: Cc1c(NC(=O)N[C@H](c2ccccc2)C(C)C)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C22H26N4O2/c1-15(2)19(17-11-7-5-8-12-17)23-22(28)24-20-16(3)25(4)26(21(20)27)18-13-9-6-10-14-18/h5-15,19H,1-4H3,(H2,23,24,28)/t19-/m0/s1
• InChIKey: UWYBXHBTOCDGHO-IBGZPJMESA-N
• XLogP: 4.00
• TPSA: 68.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea?

The IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea (CID 51943952) is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea.

What is the SMILES notation for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea?

The canonical SMILES for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea is Cc1c(NC(=O)N[C@H](c2ccccc2)C(C)C)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea?

The InChIKey is UWYBXHBTOCDGHO-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(2)19(17-11-7-5-8-12-17)23-22(28)24-20-16(3)25(4)26(21(20)27)18-13-9-6-10-14-18/h5-15,19H,1-4H3,(H2,23,24,28)/t19-/m0/s1.

What are the key properties of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea?

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea has a molecular weight of 378.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea is sourced from PubChem (CID 51943952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).