tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate

C15H23N3O3 — CID 146477531

IUPACtert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)c1ccnn1CC2O
InChIInChI=1S/C15H23N3O3/c1-14(2,3)21-13(20)17-8-5-15(6-9-17)11-4-7-16-18(11)10-12(15)19/h4,7,12,19H,5-6,8-10H2,1-3H3
InChIKeyQULDULNWIGAYHA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.53
Rot. Bonds

About tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate

tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate (PubChem CID 146477531) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate
PubChem CID146477531
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)c1ccnn1CC2O
InChIInChI=1S/C15H23N3O3/c1-14(2,3)21-13(20)17-8-5-15(6-9-17)11-4-7-16-18(11)10-12(15)19/h4,7,12,19H,5-6,8-10H2,1-3H3
InChIKeyQULDULNWIGAYHA-UHFFFAOYSA-N
XLogP1.53
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate (CID 146477531) is tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)c1ccnn1CC2O.
What is the InChIKey of tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate?
The InChIKey is QULDULNWIGAYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-14(2,3)21-13(20)17-8-5-15(6-9-17)11-4-7-16-18(11)10-12(15)19/h4,7,12,19H,5-6,8-10H2,1-3H3.
What are the key properties of tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate?
tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 146477531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).