3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C10H11N3O3 — CID 118607699

IUPAC3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCc1c(C)[nH]n2c(=O)c(C(=O)O)cnc12
InChIInChI=1S/C10H11N3O3/c1-3-6-5(2)12-13-8(6)11-4-7(9(13)14)10(15)16/h4,12H,3H2,1-2H3,(H,15,16)
InChIKeyDQZQTELFRVBBGE-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.59
Rot. Bonds2

About 3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 118607699) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID118607699
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCc1c(C)[nH]n2c(=O)c(C(=O)O)cnc12
InChIInChI=1S/C10H11N3O3/c1-3-6-5(2)12-13-8(6)11-4-7(9(13)14)10(15)16/h4,12H,3H2,1-2H3,(H,15,16)
InChIKeyDQZQTELFRVBBGE-UHFFFAOYSA-N
XLogP0.59
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 118607699) is 3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CCc1c(C)[nH]n2c(=O)c(C(=O)O)cnc12.
What is the InChIKey of 3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is DQZQTELFRVBBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-6-5(2)12-13-8(6)11-4-7(9(13)14)10(15)16/h4,12H,3H2,1-2H3,(H,15,16).
What are the key properties of 3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 118607699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).