1-tert-butyl-4-pyrrolidin-2-ylpyrazole

C11H19N3 — CID 155175834

IUPAC1-tert-butyl-4-pyrrolidin-2-ylpyrazole
SMILESCC(C)(C)n1cc(C2CCCN2)cn1
InChIInChI=1S/C11H19N3/c1-11(2,3)14-8-9(7-13-14)10-5-4-6-12-10/h7-8,10,12H,4-6H2,1-3H3
InChIKeyGRMZUUYALBOJEA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.06
Rot. Bonds1

About 1-tert-butyl-4-pyrrolidin-2-ylpyrazole

1-tert-butyl-4-pyrrolidin-2-ylpyrazole (PubChem CID 155175834) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-tert-butyl-4-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name1-tert-butyl-4-pyrrolidin-2-ylpyrazole
PubChem CID155175834
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-tert-butyl-4-pyrrolidin-2-ylpyrazole
SMILESCC(C)(C)n1cc(C2CCCN2)cn1
InChIInChI=1S/C11H19N3/c1-11(2,3)14-8-9(7-13-14)10-5-4-6-12-10/h7-8,10,12H,4-6H2,1-3H3
InChIKeyGRMZUUYALBOJEA-UHFFFAOYSA-N
XLogP2.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-pyrrolidin-2-ylpyrazole?
The IUPAC name of 1-tert-butyl-4-pyrrolidin-2-ylpyrazole (CID 155175834) is 1-tert-butyl-4-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 1-tert-butyl-4-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 1-tert-butyl-4-pyrrolidin-2-ylpyrazole is CC(C)(C)n1cc(C2CCCN2)cn1.
What is the InChIKey of 1-tert-butyl-4-pyrrolidin-2-ylpyrazole?
The InChIKey is GRMZUUYALBOJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)14-8-9(7-13-14)10-5-4-6-12-10/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-4-pyrrolidin-2-ylpyrazole?
1-tert-butyl-4-pyrrolidin-2-ylpyrazole has a molecular weight of 193.29 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 155175834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).