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

C20H30N4O2 — CID 110213910

IUPACtert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2ccnc3cc(C(C)(C)C)nn23)C1
InChIInChI=1S/C20H30N4O2/c1-19(2,3)16-12-17-21-10-9-15(24(17)22-16)14-8-7-11-23(13-14)18(25)26-20(4,5)6/h9-10,12,14H,7-8,11,13H2,1-6H3
InChIKeyMANQZMCRMAUERU-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.14
Rot. Bonds1

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

tert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate (PubChem CID 110213910) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is tert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
PubChem CID110213910
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Nametert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2ccnc3cc(C(C)(C)C)nn23)C1
InChIInChI=1S/C20H30N4O2/c1-19(2,3)16-12-17-21-10-9-15(24(17)22-16)14-8-7-11-23(13-14)18(25)26-20(4,5)6/h9-10,12,14H,7-8,11,13H2,1-6H3
InChIKeyMANQZMCRMAUERU-UHFFFAOYSA-N
XLogP4.14
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.14
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-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate (CID 110213910) is tert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2ccnc3cc(C(C)(C)C)nn23)C1.
What is the InChIKey of tert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The InChIKey is MANQZMCRMAUERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-19(2,3)16-12-17-21-10-9-15(24(17)22-16)14-8-7-11-23(13-14)18(25)26-20(4,5)6/h9-10,12,14H,7-8,11,13H2,1-6H3.
What are the key properties of tert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
tert-butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate has a molecular weight of 358.49 g/mol, XLogP of 4.14, 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-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate is sourced from PubChem (CID 110213910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).