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

C13H16N4O3 — CID 146598874

IUPAC5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC1(C)CN(c2ccn3ncc(C(=O)O)c3n2)CCO1
InChIInChI=1S/C13H16N4O3/c1-13(2)8-16(5-6-20-13)10-3-4-17-11(15-10)9(7-14-17)12(18)19/h3-4,7H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyVRLVMPJZAXOZLR-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.04
Rot. Bonds2

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

5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 146598874) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID146598874
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC1(C)CN(c2ccn3ncc(C(=O)O)c3n2)CCO1
InChIInChI=1S/C13H16N4O3/c1-13(2)8-16(5-6-20-13)10-3-4-17-11(15-10)9(7-14-17)12(18)19/h3-4,7H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyVRLVMPJZAXOZLR-UHFFFAOYSA-N
XLogP1.04
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 146598874) is 5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC1(C)CN(c2ccn3ncc(C(=O)O)c3n2)CCO1.
What is the InChIKey of 5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is VRLVMPJZAXOZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-13(2)8-16(5-6-20-13)10-3-4-17-11(15-10)9(7-14-17)12(18)19/h3-4,7H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of 5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 146598874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).