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

C10H10BrN3O2 — CID 166709754

IUPAC2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCc1nc2c(C)c(Br)nn2cc1C(=O)O
InChIInChI=1S/C10H10BrN3O2/c1-3-7-6(10(15)16)4-14-9(12-7)5(2)8(11)13-14/h4H,3H2,1-2H3,(H,15,16)
InChIKeyYQXLKOZJXNZHES-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.06
Rot. Bonds2

About 2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 166709754) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID166709754
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCc1nc2c(C)c(Br)nn2cc1C(=O)O
InChIInChI=1S/C10H10BrN3O2/c1-3-7-6(10(15)16)4-14-9(12-7)5(2)8(11)13-14/h4H,3H2,1-2H3,(H,15,16)
InChIKeyYQXLKOZJXNZHES-UHFFFAOYSA-N
XLogP2.06
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 114514173
3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 104619442
1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid
CID 116851846
3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
CID 39870092
1,6-diethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 90775639
3-bromo-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 130565190
6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
CID 112692937
1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82294247
1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82297656
5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 155123965
6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 155885484
5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 104619437

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 166709754) is 2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CCc1nc2c(C)c(Br)nn2cc1C(=O)O.
What is the InChIKey of 2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is YQXLKOZJXNZHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-3-7-6(10(15)16)4-14-9(12-7)5(2)8(11)13-14/h4H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 284.11 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 166709754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).