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

C11H10F3N3O3 — CID 16793366

IUPAC6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C(F)(F)F)c(CCCO)cnc12
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)8-6(2-1-3-18)4-15-9-7(10(19)20)5-16-17(8)9/h4-5,18H,1-3H2,(H,19,20)
InChIKeyWEOBOMKNLNCWEA-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.37
Rot. Bonds4

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

6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 16793366) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID16793366
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C(F)(F)F)c(CCCO)cnc12
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)8-6(2-1-3-18)4-15-9-7(10(19)20)5-16-17(8)9/h4-5,18H,1-3H2,(H,19,20)
InChIKeyWEOBOMKNLNCWEA-UHFFFAOYSA-N
XLogP1.37
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 16793366) is 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(C(F)(F)F)c(CCCO)cnc12.
What is the InChIKey of 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is WEOBOMKNLNCWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c12-11(13,14)8-6(2-1-3-18)4-15-9-7(10(19)20)5-16-17(8)9/h4-5,18H,1-3H2,(H,19,20).
What are the key properties of 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 289.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 16793366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).