2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

C10H9F3N4O2 — CID 84810469

IUPAC2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESNC(Cc1cnc2cc(C(F)(F)F)nn2c1)C(=O)O
InChIInChI=1S/C10H9F3N4O2/c11-10(12,13)7-2-8-15-3-5(4-17(8)16-7)1-6(14)9(18)19/h2-4,6H,1,14H2,(H,18,19)
InChIKeyAQEPSEMDEWCGKG-UHFFFAOYSA-N
MW274.20 g/mol
LogP0.70
Rot. Bonds3

About 2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (PubChem CID 84810469) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
PubChem CID84810469
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESNC(Cc1cnc2cc(C(F)(F)F)nn2c1)C(=O)O
InChIInChI=1S/C10H9F3N4O2/c11-10(12,13)7-2-8-15-3-5(4-17(8)16-7)1-6(14)9(18)19/h2-4,6H,1,14H2,(H,18,19)
InChIKeyAQEPSEMDEWCGKG-UHFFFAOYSA-N
XLogP0.70
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The IUPAC name of 2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (CID 84810469) is 2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is NC(Cc1cnc2cc(C(F)(F)F)nn2c1)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The InChIKey is AQEPSEMDEWCGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c11-10(12,13)7-2-8-15-3-5(4-17(8)16-7)1-6(14)9(18)19/h2-4,6H,1,14H2,(H,18,19).
What are the key properties of 2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid has a molecular weight of 274.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is sourced from PubChem (CID 84810469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).