N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide

C24H24BrN5O2 — CID 92819702

About N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide

N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide (PubChem CID 92819702) has the molecular formula C24H24BrN5O2 and a molecular weight of 494.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
• PubChem CID: 92819702
• Molecular Formula: C24H24BrN5O2
• Molecular Weight: 494.39 g/mol
• Exact Mass: 493.11
• IUPAC Name: N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
• SMILES: Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@H](C)c4ccc(Br)cc4)c3)n2)o1
• InChI: InChI=1S/C24H24BrN5O2/c1-14(2)22-13-21(24-28-27-16(4)32-24)29-30(22)20-7-5-6-18(12-20)23(31)26-15(3)17-8-10-19(25)11-9-17/h5-15H,1-4H3,(H,26,31)/t15-/m1/s1
• InChIKey: SBGCGBLZVMFVTN-OAHLLOKOSA-N
• XLogP: 5.61
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.39
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?

The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide (CID 92819702) is N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide.

What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?

The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide is Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@H](C)c4ccc(Br)cc4)c3)n2)o1.

What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?

The InChIKey is SBGCGBLZVMFVTN-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24BrN5O2/c1-14(2)22-13-21(24-28-27-16(4)32-24)29-30(22)20-7-5-6-18(12-20)23(31)26-15(3)17-8-10-19(25)11-9-17/h5-15H,1-4H3,(H,26,31)/t15-/m1/s1.

What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?

N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide has a molecular weight of 494.39 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide is sourced from PubChem (CID 92819702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).