tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate

C17H28N4O2 — CID 118936387

IUPACtert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(N)n(C3CCC3)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-9-7-12(8-10-20)14-11-15(18)21(19-14)13-5-4-6-13/h11-13H,4-10,18H2,1-3H3
InChIKeyDJYFSNLITFYJTL-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate (PubChem CID 118936387) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate
PubChem CID118936387
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(N)n(C3CCC3)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-9-7-12(8-10-20)14-11-15(18)21(19-14)13-5-4-6-13/h11-13H,4-10,18H2,1-3H3
InChIKeyDJYFSNLITFYJTL-UHFFFAOYSA-N
XLogP3.30
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate (CID 118936387) is tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc(N)n(C3CCC3)n2)CC1.
What is the InChIKey of tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate?
The InChIKey is DJYFSNLITFYJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-9-7-12(8-10-20)14-11-15(18)21(19-14)13-5-4-6-13/h11-13H,4-10,18H2,1-3H3.
What are the key properties of tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate has a molecular weight of 320.44 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-amino-1-cyclobutylpyrazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 118936387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).