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

C10H8BrN3O2 — CID 134430711

IUPAC2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)n2nc(Br)cc2n1
InChIInChI=1S/C10H8BrN3O2/c11-8-4-9-12-6(10(15)16)3-7(5-1-2-5)14(9)13-8/h3-5H,1-2H2,(H,15,16)
InChIKeyNFNQSKDDFXVDJS-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.07
Rot. Bonds2

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

2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 134430711) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID134430711
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)n2nc(Br)cc2n1
InChIInChI=1S/C10H8BrN3O2/c11-8-4-9-12-6(10(15)16)3-7(5-1-2-5)14(9)13-8/h3-5H,1-2H2,(H,15,16)
InChIKeyNFNQSKDDFXVDJS-UHFFFAOYSA-N
XLogP2.07
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 134430711) is 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(C2CC2)n2nc(Br)cc2n1.
What is the InChIKey of 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is NFNQSKDDFXVDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c11-8-4-9-12-6(10(15)16)3-7(5-1-2-5)14(9)13-8/h3-5H,1-2H2,(H,15,16).
What are the key properties of 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 282.10 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 134430711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).