5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C12H11F3N4O3 — CID 170025722

IUPAC5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CCOC(C(F)(F)F)C3)nc12
InChIInChI=1S/C12H11F3N4O3/c13-12(14,15)8-6-18(3-4-22-8)9-1-2-19-10(17-9)7(5-16-19)11(20)21/h1-2,5,8H,3-4,6H2,(H,20,21)
InChIKeySPSSCUHSKMATLJ-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.20
Rot. Bonds2

About 5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 170025722) has the molecular formula C12H11F3N4O3 and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID170025722
Molecular FormulaC12H11F3N4O3
Molecular Weight316.24 g/mol
Exact Mass316.08
IUPAC Name5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(N3CCOC(C(F)(F)F)C3)nc12
InChIInChI=1S/C12H11F3N4O3/c13-12(14,15)8-6-18(3-4-22-8)9-1-2-19-10(17-9)7(5-16-19)11(20)21/h1-2,5,8H,3-4,6H2,(H,20,21)
InChIKeySPSSCUHSKMATLJ-UHFFFAOYSA-N
XLogP1.20
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 170025722) is 5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2ccc(N3CCOC(C(F)(F)F)C3)nc12.
What is the InChIKey of 5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is SPSSCUHSKMATLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3/c13-12(14,15)8-6-18(3-4-22-8)9-1-2-19-10(17-9)7(5-16-19)11(20)21/h1-2,5,8H,3-4,6H2,(H,20,21).
What are the key properties of 5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 316.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 170025722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).