2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid

C14H14F3N5O3 — CID 19494073

About 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid

2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid (PubChem CID 19494073) has the molecular formula C14H14F3N5O3 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid
• PubChem CID: 19494073
• Molecular Formula: C14H14F3N5O3
• Molecular Weight: 357.29 g/mol
• Exact Mass: 357.10
• IUPAC Name: 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid
• SMILES: O=C(O)c1ccnn1CCC(=O)N1CCC(C(F)(F)F)n2nccc21
• InChI: InChI=1S/C14H14F3N5O3/c15-14(16,17)10-3-7-20(11-2-6-19-22(10)11)12(23)4-8-21-9(13(24)25)1-5-18-21/h1-2,5-6,10H,3-4,7-8H2,(H,24,25)
• InChIKey: GORSWMBRVQVHKP-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 93.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.29
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid?

The IUPAC name of 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid (CID 19494073) is 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid.

What is the SMILES notation for 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid?

The canonical SMILES for 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid is O=C(O)c1ccnn1CCC(=O)N1CCC(C(F)(F)F)n2nccc21.

What is the InChIKey of 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid?

The InChIKey is GORSWMBRVQVHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O3/c15-14(16,17)10-3-7-20(11-2-6-19-22(10)11)12(23)4-8-21-9(13(24)25)1-5-18-21/h1-2,5-6,10H,3-4,7-8H2,(H,24,25).

What are the key properties of 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid?

2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid has a molecular weight of 357.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-oxo-3-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19494073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).