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

C14H21N5O2 — CID 58216837

IUPACtert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2ncc(C#N)c2N)C1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)18-6-4-5-11(9-18)19-12(16)10(7-15)8-17-19/h8,11H,4-6,9,16H2,1-3H3
InChIKeyLTQPAVBDGGCODO-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.91
Rot. Bonds1

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

tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 58216837) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate
PubChem CID58216837
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Nametert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2ncc(C#N)c2N)C1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)18-6-4-5-11(9-18)19-12(16)10(7-15)8-17-19/h8,11H,4-6,9,16H2,1-3H3
InChIKeyLTQPAVBDGGCODO-UHFFFAOYSA-N
XLogP1.91
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate (CID 58216837) is tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(n2ncc(C#N)c2N)C1.
What is the InChIKey of tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is LTQPAVBDGGCODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)18-6-4-5-11(9-18)19-12(16)10(7-15)8-17-19/h8,11H,4-6,9,16H2,1-3H3.
What are the key properties of tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate?
tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 291.36 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58216837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).