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

C13H19N5O2 — CID 58216879

IUPACtert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ncc(C#N)c2N)C1
InChIInChI=1S/C13H19N5O2/c1-13(2,3)20-12(19)17-5-4-10(8-17)18-11(15)9(6-14)7-16-18/h7,10H,4-5,8,15H2,1-3H3
InChIKeyDJENTKIDWSTZPS-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.52
Rot. Bonds1

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

tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate (PubChem CID 58216879) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate
PubChem CID58216879
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Nametert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ncc(C#N)c2N)C1
InChIInChI=1S/C13H19N5O2/c1-13(2,3)20-12(19)17-5-4-10(8-17)18-11(15)9(6-14)7-16-18/h7,10H,4-5,8,15H2,1-3H3
InChIKeyDJENTKIDWSTZPS-UHFFFAOYSA-N
XLogP1.52
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.52
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)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate (CID 58216879) is tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2ncc(C#N)c2N)C1.
What is the InChIKey of tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is DJENTKIDWSTZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-13(2,3)20-12(19)17-5-4-10(8-17)18-11(15)9(6-14)7-16-18/h7,10H,4-5,8,15H2,1-3H3.
What are the key properties of tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(5-amino-4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 277.33 g/mol, XLogP of 1.52, 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)pyrrolidine-1-carboxylate is sourced from PubChem (CID 58216879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).