2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C12H17N3 — CID 2818883

IUPAC2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C12H17N3/c1-8-6-9(2)15-11(13-8)7-10(14-15)12(3,4)5/h6-7H,1-5H3
InChIKeyVAAIEXWGEAXCAB-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.64
Rot. Bonds

About 2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine

2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 2818883) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID2818883
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C12H17N3/c1-8-6-9(2)15-11(13-8)7-10(14-15)12(3,4)5/h6-7H,1-5H3
InChIKeyVAAIEXWGEAXCAB-UHFFFAOYSA-N
XLogP2.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 2818883) is 2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(C(C)(C)C)cc2n1.
What is the InChIKey of 2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VAAIEXWGEAXCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8-6-9(2)15-11(13-8)7-10(14-15)12(3,4)5/h6-7H,1-5H3.
What are the key properties of 2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 203.29 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2818883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).