5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C11H13N3O2 — CID 104619437

IUPAC5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCCc1cc2nc(C)c(C(=O)O)cn2n1
InChIInChI=1S/C11H13N3O2/c1-3-4-8-5-10-12-7(2)9(11(15)16)6-14(10)13-8/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyUWYRIJMBMJOWHR-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.69
Rot. Bonds3

About 5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 104619437) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID104619437
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCCc1cc2nc(C)c(C(=O)O)cn2n1
InChIInChI=1S/C11H13N3O2/c1-3-4-8-5-10-12-7(2)9(11(15)16)6-14(10)13-8/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyUWYRIJMBMJOWHR-UHFFFAOYSA-N
XLogP1.69
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.69
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
(6-propylimidazo[1,2-b]pyridazin-2-yl)carbamic acid
CID 68605000
3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 104619442
6-bromo-2-propylpyrazolo[1,5-a]pyrimidine
CID 104619391
3-methyl-1-octylpyrazole-4-carboxylic acid
CID 14277915
2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde
CID 83877095
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104617825
6-propylpyridine-3,4-dicarboxylic acid
CID 115026250
7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
CID 83702760
1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
3-bromo-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 130565190

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 104619437) is 5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CCCc1cc2nc(C)c(C(=O)O)cn2n1.
What is the InChIKey of 5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is UWYRIJMBMJOWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-4-8-5-10-12-7(2)9(11(15)16)6-14(10)13-8/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 104619437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).