7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C8H7N3O3 — CID 135455844

IUPAC7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(=O)[nH]c2cc(C(=O)O)nn12
InChIInChI=1S/C8H7N3O3/c1-4-2-7(12)9-6-3-5(8(13)14)10-11(4)6/h2-3H,1H3,(H,9,12)(H,13,14)
InChIKeyIDXDCHOXWPFNFU-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.03
Rot. Bonds1

About 7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 135455844) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID135455844
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(=O)[nH]c2cc(C(=O)O)nn12
InChIInChI=1S/C8H7N3O3/c1-4-2-7(12)9-6-3-5(8(13)14)10-11(4)6/h2-3H,1H3,(H,9,12)(H,13,14)
InChIKeyIDXDCHOXWPFNFU-UHFFFAOYSA-N
XLogP0.03
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 135455844) is 7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1cc(=O)[nH]c2cc(C(=O)O)nn12.
What is the InChIKey of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is IDXDCHOXWPFNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-4-2-7(12)9-6-3-5(8(13)14)10-11(4)6/h2-3H,1H3,(H,9,12)(H,13,14).
What are the key properties of 7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 135455844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).