tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate

C17H24N4O2 — CID 24865606

IUPACtert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
SMILESCc1cc2nccc(C3CCCN(C(=O)OC(C)(C)C)C3)n2n1
InChIInChI=1S/C17H24N4O2/c1-12-10-15-18-8-7-14(21(15)19-12)13-6-5-9-20(11-13)16(22)23-17(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyYAMUDSUJLRNPIQ-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.15
Rot. Bonds1

About tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate

tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate (PubChem CID 24865606) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
PubChem CID24865606
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Nametert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
SMILESCc1cc2nccc(C3CCCN(C(=O)OC(C)(C)C)C3)n2n1
InChIInChI=1S/C17H24N4O2/c1-12-10-15-18-8-7-14(21(15)19-12)13-6-5-9-20(11-13)16(22)23-17(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyYAMUDSUJLRNPIQ-UHFFFAOYSA-N
XLogP3.15
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate (CID 24865606) is tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate is Cc1cc2nccc(C3CCCN(C(=O)OC(C)(C)C)C3)n2n1.
What is the InChIKey of tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The InChIKey is YAMUDSUJLRNPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-10-15-18-8-7-14(21(15)19-12)13-6-5-9-20(11-13)16(22)23-17(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate has a molecular weight of 316.41 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate is sourced from PubChem (CID 24865606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).