6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C8H4F3N3O2 — CID 84726353

IUPAC6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)4-1-12-6-5(7(15)16)2-13-14(6)3-4/h1-3H,(H,15,16)
InChIKeyARPKRRXCMNEBRB-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.45
Rot. Bonds1

About 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 84726353) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID84726353
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)4-1-12-6-5(7(15)16)2-13-14(6)3-4/h1-3H,(H,15,16)
InChIKeyARPKRRXCMNEBRB-UHFFFAOYSA-N
XLogP1.45
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6485410
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1910189
6-Bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 25220793
2-Methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 23091947
Ethyl 6-formylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 46779155
Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 19883261
7-Amino[1.2.4]triazolo[1.5-a]pyrimidine-6-carboxylic acid
CID 25219471
6-Carbamoylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 66664490
5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71627116
6-Cyanopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71741943
Pyrazolo(1,5-a)pyrimidine-3-carboxaldehyde, 6-methyl-
CID 83815717
6-Formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 86661367

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 84726353) is 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is ARPKRRXCMNEBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)4-1-12-6-5(7(15)16)2-13-14(6)3-4/h1-3H,(H,15,16).
What are the key properties of 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 231.13 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 84726353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).