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

C12H17N3 — CID 59253392

IUPAC6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2ncc(C(C)(C)C)c(C)n2n1
InChIInChI=1S/C12H17N3/c1-8-6-11-13-7-10(12(3,4)5)9(2)15(11)14-8/h6-7H,1-5H3
InChIKeyBXZCJUPUSYCQBA-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.64
Rot. Bonds

About 6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine

6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 59253392) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID59253392
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2ncc(C(C)(C)C)c(C)n2n1
InChIInChI=1S/C12H17N3/c1-8-6-11-13-7-10(12(3,4)5)9(2)15(11)14-8/h6-7H,1-5H3
InChIKeyBXZCJUPUSYCQBA-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 6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 59253392) is 6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc2ncc(C(C)(C)C)c(C)n2n1.
What is the InChIKey of 6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BXZCJUPUSYCQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8-6-11-13-7-10(12(3,4)5)9(2)15(11)14-8/h6-7H,1-5H3.
What are the key properties of 6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine?
6-tert-butyl-2,7-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 6-tert-butyl-2,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59253392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).