5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C10H8F3N3O2 — CID 84709823

IUPAC5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2cc(C(F)(F)F)nn2c(C)c1C(=O)O
InChIInChI=1S/C10H8F3N3O2/c1-4-8(9(17)18)5(2)16-7(14-4)3-6(15-16)10(11,12)13/h3H,1-2H3,(H,17,18)
InChIKeyKXSZFHAUNNHFBY-UHFFFAOYSA-N
MW259.19 g/mol
LogP2.06
Rot. Bonds1

About 5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 84709823) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID84709823
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1nc2cc(C(F)(F)F)nn2c(C)c1C(=O)O
InChIInChI=1S/C10H8F3N3O2/c1-4-8(9(17)18)5(2)16-7(14-4)3-6(15-16)10(11,12)13/h3H,1-2H3,(H,17,18)
InChIKeyKXSZFHAUNNHFBY-UHFFFAOYSA-N
XLogP2.06
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 744038
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4572525
5,7-Dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 709095
7-(Difluoromethyl)-5-methylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 842761
2,7-Dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 2736303
2-(Methylsulfanyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2821855
5-Methyl-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 689497
2-(Trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.0,3,7]dodeca-2,7,9,11-tetraene-11-carboxylic acid
CID 777464
5,7-Bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1231735
5,7-Dimethylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 71757511
2,5,7-Trimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 43839795
5-Isopropyl-7-trifluoromethyl-pyrazolo-[1,5-a]pyrimidine-2-carboxylic acid
CID 845436

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 84709823) is 5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1nc2cc(C(F)(F)F)nn2c(C)c1C(=O)O.
What is the InChIKey of 5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is KXSZFHAUNNHFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-4-8(9(17)18)5(2)16-7(14-4)3-6(15-16)10(11,12)13/h3H,1-2H3,(H,17,18).
What are the key properties of 5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 259.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84709823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).