1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea

C22H26N4O — CID 17183197

About 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea

1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea (PubChem CID 17183197) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea.

Molecular Properties

• Compound Name: 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea
• PubChem CID: 17183197
• Molecular Formula: C22H26N4O
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.21
• IUPAC Name: 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea
• SMILES: Cc1cccc(Cn2nc(C)c(NC(=O)Nc3cccc(C)c3C)c2C)c1
• InChI: InChI=1S/C22H26N4O/c1-14-8-6-10-19(12-14)13-26-18(5)21(17(4)25-26)24-22(27)23-20-11-7-9-15(2)16(20)3/h6-12H,13H2,1-5H3,(H2,23,24,27)
• InChIKey: LDDMMGUOHHDNSQ-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea?

The IUPAC name of 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea (CID 17183197) is 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea.

What is the SMILES notation for 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea?

The canonical SMILES for 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea is Cc1cccc(Cn2nc(C)c(NC(=O)Nc3cccc(C)c3C)c2C)c1.

What is the InChIKey of 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea?

The InChIKey is LDDMMGUOHHDNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-14-8-6-10-19(12-14)13-26-18(5)21(17(4)25-26)24-22(27)23-20-11-7-9-15(2)16(20)3/h6-12H,13H2,1-5H3,(H2,23,24,27).

What are the key properties of 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea?

1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea has a molecular weight of 362.48 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea is sourced from PubChem (CID 17183197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).