6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C10H8F3N3O3 — CID 16792502

IUPAC6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C(F)(F)F)c(CCO)cnc12
InChIInChI=1S/C10H8F3N3O3/c11-10(12,13)7-5(1-2-17)3-14-8-6(9(18)19)4-15-16(7)8/h3-4,17H,1-2H2,(H,18,19)
InChIKeyHAEFOWFDDCVAIT-UHFFFAOYSA-N
MW275.19 g/mol
LogP0.98
Rot. Bonds3

About 6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 16792502) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID16792502
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Name6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C(F)(F)F)c(CCO)cnc12
InChIInChI=1S/C10H8F3N3O3/c11-10(12,13)7-5(1-2-17)3-14-8-6(9(18)19)4-15-16(7)8/h3-4,17H,1-2H2,(H,18,19)
InChIKeyHAEFOWFDDCVAIT-UHFFFAOYSA-N
XLogP0.98
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
7-(Difluoromethyl)-5-methylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 842761
6-Acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2981519
6-Allyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 3235916
5,7-Bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1231735
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 16792807
5-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 70421618
5-(Difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 129284359
7-Methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 131986762
2-(Difluoromethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 150348481
6-(2-Hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 3161120

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 16792502) is 6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(C(F)(F)F)c(CCO)cnc12.
What is the InChIKey of 6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is HAEFOWFDDCVAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c11-10(12,13)7-5(1-2-17)3-14-8-6(9(18)19)4-15-16(7)8/h3-4,17H,1-2H2,(H,18,19).
What are the key properties of 6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 275.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 16792502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).