3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

C13H17F3N4O2 — CID 126767746

About 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 126767746) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
• PubChem CID: 126767746
• Molecular Formula: C13H17F3N4O2
• Molecular Weight: 318.30 g/mol
• Exact Mass: 318.13
• IUPAC Name: 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
• SMILES: CC(C)c1noc(Cn2cc(CCCO)c(C(F)(F)F)n2)n1
• InChI: InChI=1S/C13H17F3N4O2/c1-8(2)12-17-10(22-19-12)7-20-6-9(4-3-5-21)11(18-20)13(14,15)16/h6,8,21H,3-5,7H2,1-2H3
• InChIKey: SGRMHNXKUZAEGI-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 76.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.30
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?

The IUPAC name of 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 126767746) is 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

What is the SMILES notation for 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?

The canonical SMILES for 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is CC(C)c1noc(Cn2cc(CCCO)c(C(F)(F)F)n2)n1.

What is the InChIKey of 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?

The InChIKey is SGRMHNXKUZAEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-8(2)12-17-10(22-19-12)7-20-6-9(4-3-5-21)11(18-20)13(14,15)16/h6,8,21H,3-5,7H2,1-2H3.

What are the key properties of 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?

3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 318.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 126767746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).