tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole

C15H27N3O2 — CID 143478725

IUPACtert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole
SMILESCC(C)(C)OC(=O)N1CCCC1.CC(C)n1cccn1
InChIInChI=1S/C9H17NO2.C6H10N2/c1-9(2,3)12-8(11)10-6-4-5-7-10;1-6(2)8-5-3-4-7-8/h4-7H2,1-3H3;3-6H,1-2H3
InChIKeySSCTVCDCXHVEES-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.48
Rot. Bonds1

About tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole

tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole (PubChem CID 143478725) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole.

Molecular Properties

Compound Nametert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole
PubChem CID143478725
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nametert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole
SMILESCC(C)(C)OC(=O)N1CCCC1.CC(C)n1cccn1
InChIInChI=1S/C9H17NO2.C6H10N2/c1-9(2,3)12-8(11)10-6-4-5-7-10;1-6(2)8-5-3-4-7-8/h4-7H2,1-3H3;3-6H,1-2H3
InChIKeySSCTVCDCXHVEES-UHFFFAOYSA-N
XLogP3.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole?
The IUPAC name of tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole (CID 143478725) is tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole.
What is the SMILES notation for tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole?
The canonical SMILES for tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole is CC(C)(C)OC(=O)N1CCCC1.CC(C)n1cccn1.
What is the InChIKey of tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole?
The InChIKey is SSCTVCDCXHVEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C6H10N2/c1-9(2,3)12-8(11)10-6-4-5-7-10;1-6(2)8-5-3-4-7-8/h4-7H2,1-3H3;3-6H,1-2H3.
What are the key properties of tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole?
tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole has a molecular weight of 281.40 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrrolidine-1-carboxylate;1-propan-2-ylpyrazole is sourced from PubChem (CID 143478725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).