1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

C18H23N7O2 — CID 118795980

About 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 118795980) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
• PubChem CID: 118795980
• Molecular Formula: C18H23N7O2
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.19
• IUPAC Name: 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
• SMILES: Cc1cc(NC(=O)NC(C)c2nc(-c3ccccn3)no2)n(CC(C)C)n1
• InChI: InChI=1S/C18H23N7O2/c1-11(2)10-25-15(9-12(3)23-25)21-18(26)20-13(4)17-22-16(24-27-17)14-7-5-6-8-19-14/h5-9,11,13H,10H2,1-4H3,(H2,20,21,26)
• InChIKey: BEKJCSIJUMIUAW-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 110.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The IUPAC name of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 118795980) is 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

What is the SMILES notation for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The canonical SMILES for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is Cc1cc(NC(=O)NC(C)c2nc(-c3ccccn3)no2)n(CC(C)C)n1.

What is the InChIKey of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

The InChIKey is BEKJCSIJUMIUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-11(2)10-25-15(9-12(3)23-25)21-18(26)20-13(4)17-22-16(24-27-17)14-7-5-6-8-19-14/h5-9,11,13H,10H2,1-4H3,(H2,20,21,26).

What are the key properties of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?

1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 369.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 118795980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).