[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C16H24N6O2 — CID 128981426

About [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 128981426) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
• PubChem CID: 128981426
• Molecular Formula: C16H24N6O2
• Molecular Weight: 332.41 g/mol
• Exact Mass: 332.20
• IUPAC Name: [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
• SMILES: CC(C)c1cc(C(=O)N2CCC(O)(c3cn(C(C)C)nn3)C2)n[nH]1
• InChI: InChI=1S/C16H24N6O2/c1-10(2)12-7-13(18-17-12)15(23)21-6-5-16(24,9-21)14-8-22(11(3)4)20-19-14/h7-8,10-11,24H,5-6,9H2,1-4H3,(H,17,18)
• InChIKey: CRICUSRTGLHKMY-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 99.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.41
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?

The IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 128981426) is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

What is the SMILES notation for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?

The canonical SMILES for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC(O)(c3cn(C(C)C)nn3)C2)n[nH]1.

What is the InChIKey of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?

The InChIKey is CRICUSRTGLHKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-10(2)12-7-13(18-17-12)15(23)21-6-5-16(24,9-21)14-8-22(11(3)4)20-19-14/h7-8,10-11,24H,5-6,9H2,1-4H3,(H,17,18).

What are the key properties of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?

[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 128981426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).