2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C12H15N3O2 — CID 104617825

IUPAC2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCCc1cc(C(=O)O)n2nc(C)c(C)c2n1
InChIInChI=1S/C12H15N3O2/c1-4-5-9-6-10(12(16)17)15-11(13-9)7(2)8(3)14-15/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyYMDGTAMYRPDSCU-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.00
Rot. Bonds3

About 2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 104617825) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID104617825
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCCc1cc(C(=O)O)n2nc(C)c(C)c2n1
InChIInChI=1S/C12H15N3O2/c1-4-5-9-6-10(12(16)17)15-11(13-9)7(2)8(3)14-15/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyYMDGTAMYRPDSCU-UHFFFAOYSA-N
XLogP2.00
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63820617
ethyl 3-propyl-1-(trideuteriomethyl)pyrazole-5-carboxylate;3-propyl-1-(trideuteriomethyl)pyrazole-5-carboxylic acid
CID 158234927
1-prop-2-enyl-3-propylpyrazole-5-carboxylic acid
CID 82281782
2-propyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104617807
[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
CID 70777521
2,3,5,6,7-pentamethylpyrazolo[1,5-a]pyrimidine
CID 18684973
5-methyl-2-propylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 104619437
5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916230
1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 56890932
1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol
CID 70757938
2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 56906125

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 104617825) is 2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is CCCc1cc(C(=O)O)n2nc(C)c(C)c2n1.
What is the InChIKey of 2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is YMDGTAMYRPDSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-5-9-6-10(12(16)17)15-11(13-9)7(2)8(3)14-15/h6H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 104617825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).