4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide

C21H25N5O2 — CID 124735491

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide (PubChem CID 124735491) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide.

Molecular Properties

• Compound Name: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide
• PubChem CID: 124735491
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide
• SMILES: Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)CCCc1nc(C2CC2)no1
• InChI: InChI=1S/C21H25N5O2/c1-14-13-26(15(2)16-7-4-3-5-8-16)24-20(14)22-18(27)9-6-10-19-23-21(25-28-19)17-11-12-17/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3,(H,22,24,27)/t15-/m1/s1
• InChIKey: NQLLTBCNTBEOMS-OAHLLOKOSA-N
• XLogP: 4.02
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide?

The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide (CID 124735491) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide.

What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide?

The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide is Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)CCCc1nc(C2CC2)no1.

What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide?

The InChIKey is NQLLTBCNTBEOMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-13-26(15(2)16-7-4-3-5-8-16)24-20(14)22-18(27)9-6-10-19-23-21(25-28-19)17-11-12-17/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3,(H,22,24,27)/t15-/m1/s1.

What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide?

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide has a molecular weight of 379.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 124735491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).