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

C10H11N3O2 — CID 104619442

IUPAC3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCc1cnn2cc(C(=O)O)c(C)nc12
InChIInChI=1S/C10H11N3O2/c1-3-7-4-11-13-5-8(10(14)15)6(2)12-9(7)13/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyTXKHJTGPJQQDEX-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.30
Rot. Bonds2

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

3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 104619442) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID104619442
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCc1cnn2cc(C(=O)O)c(C)nc12
InChIInChI=1S/C10H11N3O2/c1-3-7-4-11-13-5-8(10(14)15)6(2)12-9(7)13/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyTXKHJTGPJQQDEX-UHFFFAOYSA-N
XLogP1.30
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 130565190
3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 63842384
2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 114514173
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 104619437
1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid
CID 86692420
3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104621790
3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
CID 104617901
2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 166709754
7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274393
6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83917493
6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
CID 112692937

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 104619442) is 3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CCc1cnn2cc(C(=O)O)c(C)nc12.
What is the InChIKey of 3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is TXKHJTGPJQQDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-3-7-4-11-13-5-8(10(14)15)6(2)12-9(7)13/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 104619442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).