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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Related Compounds

5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane
CID 144569738
5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 146680380
N-benzyl-2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716800
2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine
CID 104621679
2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877365
2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271525
2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 104846648
2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70201413
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84724471
7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 139027268
2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079784
6-tert-butyl-2-methylimidazo[1,2-b]pyridazine;methane
CID 160895575

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).