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

C12H15N3O2 — CID 122672702

IUPAC6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCCCc1cn2ncc(C(=O)O)c2nc1C
InChIInChI=1S/C12H15N3O2/c1-3-4-5-9-7-15-11(14-8(9)2)10(6-13-15)12(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyZWSHLSXLQWMTDB-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.08
Rot. Bonds4

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

6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 122672702) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID122672702
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCCCc1cn2ncc(C(=O)O)c2nc1C
InChIInChI=1S/C12H15N3O2/c1-3-4-5-9-7-15-11(14-8(9)2)10(6-13-15)12(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyZWSHLSXLQWMTDB-UHFFFAOYSA-N
XLogP2.08
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 122672702) is 6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CCCCc1cn2ncc(C(=O)O)c2nc1C.
What is the InChIKey of 6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is ZWSHLSXLQWMTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-4-5-9-7-15-11(14-8(9)2)10(6-13-15)12(16)17/h6-7H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 122672702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).