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

C10H8F3N3O2 — CID 123187139

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

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

5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 123187139) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID123187139
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1nc2cc(C(=O)O)nn2c(C(F)(F)F)c1C
InChIInChI=1S/C10H8F3N3O2/c1-4-5(2)14-7-3-6(9(17)18)15-16(7)8(4)10(11,12)13/h3H,1-2H3,(H,17,18)
InChIKeyRTWIUBPMKRBOFV-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-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 845435
Pyrazolo(1,5-a)pyrimidine-2-carboxylic acid, 3-chloro-5-methyl-7-(trifluoromethyl)-
CID 1153121
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
5,7-Dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 709095
9-(trifluoromethyl)-5H,6H,7H,8H-pyrazolo[3,2-b]quinazoline-2-carboxylic acid
CID 845265
2-(Trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.0,3,7]dodeca-2,7,9,11-tetraene-11-carboxylic acid
CID 777464
5-Methyl-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 689497
Methyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 840802
5-(4-Methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 3124928
5-(4-Fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 847248
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 7017531
2,7-Dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 28065148

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 123187139) is 5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1nc2cc(C(=O)O)nn2c(C(F)(F)F)c1C.
What is the InChIKey of 5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is RTWIUBPMKRBOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c1-4-5(2)14-7-3-6(9(17)18)15-16(7)8(4)10(11,12)13/h3H,1-2H3,(H,17,18).
What are the key properties of 5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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 5,6-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 123187139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).