ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C15H17F3N6O2 — CID 135636362

About ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 135636362) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• PubChem CID: 135636362
• Molecular Formula: C15H17F3N6O2
• Molecular Weight: 370.34 g/mol
• Exact Mass: 370.14
• IUPAC Name: ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2C1c1cn(CC)nc1C
• InChI: InChI=1S/C15H17F3N6O2/c1-4-23-6-9(8(3)22-23)11-10(13(25)26-5-2)12(15(16,17)18)21-14-19-7-20-24(11)14/h6-7,11H,4-5H2,1-3H3,(H,19,20,21)
• InChIKey: PXVKLBWHGJCODB-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.34
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 135636362) is ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2C1c1cn(CC)nc1C.

What is the InChIKey of ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The InChIKey is PXVKLBWHGJCODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-4-23-6-9(8(3)22-23)11-10(13(25)26-5-2)12(15(16,17)18)21-14-19-7-20-24(11)14/h6-7,11H,4-5H2,1-3H3,(H,19,20,21).

What are the key properties of ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 370.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-(1-ethyl-3-methylpyrazol-4-yl)-5-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135636362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).