5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile

C12H19N5 — CID 102795651

IUPAC5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
SMILESCC(C)(C)n1nc(N2CCCC2)c(C#N)c1N
InChIInChI=1S/C12H19N5/c1-12(2,3)17-10(14)9(8-13)11(15-17)16-6-4-5-7-16/h4-7,14H2,1-3H3
InChIKeyAOZFGBLVVAYPNY-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.69
Rot. Bonds1

About 5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile

5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile (PubChem CID 102795651) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
PubChem CID102795651
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
SMILESCC(C)(C)n1nc(N2CCCC2)c(C#N)c1N
InChIInChI=1S/C12H19N5/c1-12(2,3)17-10(14)9(8-13)11(15-17)16-6-4-5-7-16/h4-7,14H2,1-3H3
InChIKeyAOZFGBLVVAYPNY-UHFFFAOYSA-N
XLogP1.69
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile (CID 102795651) is 5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile is CC(C)(C)n1nc(N2CCCC2)c(C#N)c1N.
What is the InChIKey of 5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The InChIKey is AOZFGBLVVAYPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-12(2,3)17-10(14)9(8-13)11(15-17)16-6-4-5-7-16/h4-7,14H2,1-3H3.
What are the key properties of 5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile has a molecular weight of 233.32 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 102795651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).