tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C13H17N3O2 — CID 79496302

IUPACtert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1cc(C)n2ncc(C(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C13H17N3O2/c1-8-6-9(2)16-11(15-8)10(7-14-16)12(17)18-13(3,4)5/h6-7H,1-5H3
InChIKeyXWJVPDAOGDTZFC-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.30
Rot. Bonds1

About tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 79496302) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID79496302
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nametert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1cc(C)n2ncc(C(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C13H17N3O2/c1-8-6-9(2)16-11(15-8)10(7-14-16)12(17)18-13(3,4)5/h6-7H,1-5H3
InChIKeyXWJVPDAOGDTZFC-UHFFFAOYSA-N
XLogP2.30
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 744038
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 83877102
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4572525
7-(Difluoromethyl)-5-methylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 842761
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
CID 663171
Ethyl 4-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 663249
Ethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843507
Ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736420
2-(3,5-Dimethylpyrazol-1-yl)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]oxazepin-5-one
CID 936962
5,7-Dimethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 17593557
N,5,7-trimethylpyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 19440818
Ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1089239

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 79496302) is tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate is Cc1cc(C)n2ncc(C(=O)OC(C)(C)C)c2n1.
What is the InChIKey of tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is XWJVPDAOGDTZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-6-9(2)16-11(15-8)10(7-14-16)12(17)18-13(3,4)5/h6-7H,1-5H3.
What are the key properties of tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 79496302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).