2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid

C14H14F3N5O3 — CID 19622141

About 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid

2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid (PubChem CID 19622141) has the molecular formula C14H14F3N5O3 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid
• PubChem CID: 19622141
• Molecular Formula: C14H14F3N5O3
• Molecular Weight: 357.29 g/mol
• Exact Mass: 357.10
• IUPAC Name: 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid
• SMILES: CC(C(=O)O)n1cc(C(=O)N2CCC(C(F)(F)F)n3nccc32)cn1
• InChI: InChI=1S/C14H14F3N5O3/c1-8(13(24)25)21-7-9(6-19-21)12(23)20-5-3-10(14(15,16)17)22-11(20)2-4-18-22/h2,4,6-8,10H,3,5H2,1H3,(H,24,25)
• InChIKey: NFMFTTFKDPWHON-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 93.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.29
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid?

The IUPAC name of 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid (CID 19622141) is 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid.

What is the SMILES notation for 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid?

The canonical SMILES for 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C(=O)N2CCC(C(F)(F)F)n3nccc32)cn1.

What is the InChIKey of 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid?

The InChIKey is NFMFTTFKDPWHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O3/c1-8(13(24)25)21-7-9(6-19-21)12(23)20-5-3-10(14(15,16)17)22-11(20)2-4-18-22/h2,4,6-8,10H,3,5H2,1H3,(H,24,25).

What are the key properties of 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid?

2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid has a molecular weight of 357.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19622141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).