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

C9H7F3N4O2 — CID 84806528

IUPAC2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESNC(C(=O)O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H7F3N4O2/c10-9(11,12)5-1-6-14-2-4(3-16(6)15-5)7(13)8(17)18/h1-3,7H,13H2,(H,17,18)
InChIKeyAQQSIVHOVQQMFP-UHFFFAOYSA-N
MW260.18 g/mol
LogP0.83
Rot. Bonds2

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

2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid (PubChem CID 84806528) has the molecular formula C9H7F3N4O2 and a molecular weight of 260.18 g/mol. Its IUPAC name is 2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
PubChem CID84806528
Molecular FormulaC9H7F3N4O2
Molecular Weight260.18 g/mol
Exact Mass260.05
IUPAC Name2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESNC(C(=O)O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H7F3N4O2/c10-9(11,12)5-1-6-14-2-4(3-16(6)15-5)7(13)8(17)18/h1-3,7H,13H2,(H,17,18)
InChIKeyAQQSIVHOVQQMFP-UHFFFAOYSA-N
XLogP0.83
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 82270949
2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82392538
N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 90974286
2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide
CID 91629059
2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84787761
2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid
CID 84727947
N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 91629093
2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide
CID 91629068
3-cyano-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide
CID 91629091
2-(6-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)acetic acid
CID 84684657
5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid
CID 131871682
6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 67517195

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid (CID 84806528) is 2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid is NC(C(=O)O)c1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The InChIKey is AQQSIVHOVQQMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2/c10-9(11,12)5-1-6-14-2-4(3-16(6)15-5)7(13)8(17)18/h1-3,7H,13H2,(H,17,18).
What are the key properties of 2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid has a molecular weight of 260.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid is sourced from PubChem (CID 84806528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).