6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C10H9N3O3 — CID 2981519

IUPAC6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(=O)c1cnc2c(C(=O)O)cnn2c1C
InChIInChI=1S/C10H9N3O3/c1-5-7(6(2)14)3-11-9-8(10(15)16)4-12-13(5)9/h3-4H,1-2H3,(H,15,16)
InChIKeyCQPZQUIJNFLLJF-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.94
Rot. Bonds2

About 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 2981519) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID2981519
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(=O)c1cnc2c(C(=O)O)cnn2c1C
InChIInChI=1S/C10H9N3O3/c1-5-7(6(2)14)3-11-9-8(10(15)16)4-12-13(5)9/h3-4H,1-2H3,(H,15,16)
InChIKeyCQPZQUIJNFLLJF-UHFFFAOYSA-N
XLogP0.94
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 2981519) is 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(=O)c1cnc2c(C(=O)O)cnn2c1C.
What is the InChIKey of 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is CQPZQUIJNFLLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-5-7(6(2)14)3-11-9-8(10(15)16)4-12-13(5)9/h3-4H,1-2H3,(H,15,16).
What are the key properties of 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 2981519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).