1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone

C21H24N4O3 — CID 147796551

About 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone

1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone (PubChem CID 147796551) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone
• PubChem CID: 147796551
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone
• SMILES: CC(C)c1nc(-c2ccc3c(c2)CC[C@H]3CC(=O)c2cnn(CCO)c2)no1
• InChI: InChI=1S/C21H24N4O3/c1-13(2)21-23-20(24-28-21)16-5-6-18-14(9-16)3-4-15(18)10-19(27)17-11-22-25(12-17)7-8-26/h5-6,9,11-13,15,26H,3-4,7-8,10H2,1-2H3/t15-/m0/s1
• InChIKey: HKRHKCZKFSBQAC-HNNXBMFYSA-N
• XLogP: 3.35
• TPSA: 94.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone?

The IUPAC name of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone (CID 147796551) is 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone.

What is the SMILES notation for 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone?

The canonical SMILES for 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone is CC(C)c1nc(-c2ccc3c(c2)CC[C@H]3CC(=O)c2cnn(CCO)c2)no1.

What is the InChIKey of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone?

The InChIKey is HKRHKCZKFSBQAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13(2)21-23-20(24-28-21)16-5-6-18-14(9-16)3-4-15(18)10-19(27)17-11-22-25(12-17)7-8-26/h5-6,9,11-13,15,26H,3-4,7-8,10H2,1-2H3/t15-/m0/s1.

What are the key properties of 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone?

1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone has a molecular weight of 380.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone is sourced from PubChem (CID 147796551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).