methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate

C17H25N3O2 — CID 67258557

IUPACmethyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OC)c1cn2nc(C(C)(C)C)cc2nc1C
InChIInChI=1S/C17H25N3O2/c1-7-8-12(16(21)22-6)13-10-20-15(18-11(13)2)9-14(19-20)17(3,4)5/h9-10,12H,7-8H2,1-6H3
InChIKeyXXYNXJQPWJRUMN-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.39
Rot. Bonds4

About methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate

methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (PubChem CID 67258557) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
PubChem CID67258557
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namemethyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
SMILESCCCC(C(=O)OC)c1cn2nc(C(C)(C)C)cc2nc1C
InChIInChI=1S/C17H25N3O2/c1-7-8-12(16(21)22-6)13-10-20-15(18-11(13)2)9-14(19-20)17(3,4)5/h9-10,12H,7-8H2,1-6H3
InChIKeyXXYNXJQPWJRUMN-UHFFFAOYSA-N
XLogP3.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The IUPAC name of methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate (CID 67258557) is methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate.
What is the SMILES notation for methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The canonical SMILES for methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate is CCCC(C(=O)OC)c1cn2nc(C(C)(C)C)cc2nc1C.
What is the InChIKey of methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
The InChIKey is XXYNXJQPWJRUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-7-8-12(16(21)22-6)13-10-20-15(18-11(13)2)9-14(19-20)17(3,4)5/h9-10,12H,7-8H2,1-6H3.
What are the key properties of methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate?
methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate has a molecular weight of 303.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate is sourced from PubChem (CID 67258557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).