tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate

C12H20N4O2 — CID 86775182

IUPACtert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ccc(N)n2)C1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)15-6-4-9(8-15)16-7-5-10(13)14-16/h5,7,9H,4,6,8H2,1-3H3,(H2,13,14)
InChIKeyJJBRAKJDQVIEFK-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.65
Rot. Bonds1

About tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate (PubChem CID 86775182) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate
PubChem CID86775182
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nametert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ccc(N)n2)C1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)15-6-4-9(8-15)16-7-5-10(13)14-16/h5,7,9H,4,6,8H2,1-3H3,(H2,13,14)
InChIKeyJJBRAKJDQVIEFK-UHFFFAOYSA-N
XLogP1.65
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate (CID 86775182) is tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2ccc(N)n2)C1.
What is the InChIKey of tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is JJBRAKJDQVIEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)15-6-4-9(8-15)16-7-5-10(13)14-16/h5,7,9H,4,6,8H2,1-3H3,(H2,13,14).
What are the key properties of tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 252.32 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 86775182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).