2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C13H13N3O2 — CID 71683769

IUPAC2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)n2nc(C3CC3)cc2n1
InChIInChI=1S/C13H13N3O2/c17-13(18)10-5-11(8-3-4-8)16-12(14-10)6-9(15-16)7-1-2-7/h5-8H,1-4H2,(H,17,18)
InChIKeyPUIAHZOOCCYGKT-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.18
Rot. Bonds3

About 2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 71683769) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID71683769
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)n2nc(C3CC3)cc2n1
InChIInChI=1S/C13H13N3O2/c17-13(18)10-5-11(8-3-4-8)16-12(14-10)6-9(15-16)7-1-2-7/h5-8H,1-4H2,(H,17,18)
InChIKeyPUIAHZOOCCYGKT-UHFFFAOYSA-N
XLogP2.18
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 71683769) is 2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(C2CC2)n2nc(C3CC3)cc2n1.
What is the InChIKey of 2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is PUIAHZOOCCYGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)10-5-11(8-3-4-8)16-12(14-10)6-9(15-16)7-1-2-7/h5-8H,1-4H2,(H,17,18).
What are the key properties of 2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 71683769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).