1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

C19H34N4O — CID 100745244

About 1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (PubChem CID 100745244) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.

Molecular Properties

• Compound Name: 1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
• PubChem CID: 100745244
• Molecular Formula: C19H34N4O
• Molecular Weight: 334.51 g/mol
• Exact Mass: 334.27
• IUPAC Name: 1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
• SMILES: Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N(C)[C@H](C)C1CCCCC1
• InChI: InChI=1S/C19H34N4O/c1-13(12-18-14(2)21-23(6)16(18)4)20-19(24)22(5)15(3)17-10-8-7-9-11-17/h13,15,17H,7-12H2,1-6H3,(H,20,24)/t13-,15-/m1/s1
• InChIKey: QZIVUSPOMRVWCK-UKRRQHHQSA-N
• XLogP: 3.58
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.51
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (CID 100745244) is 1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.

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

The canonical SMILES for 1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N(C)[C@H](C)C1CCCCC1.

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

The InChIKey is QZIVUSPOMRVWCK-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H34N4O/c1-13(12-18-14(2)21-23(6)16(18)4)20-19(24)22(5)15(3)17-10-8-7-9-11-17/h13,15,17H,7-12H2,1-6H3,(H,20,24)/t13-,15-/m1/s1.

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

1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea has a molecular weight of 334.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is sourced from PubChem (CID 100745244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).