tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate

C14H23N3O2 — CID 165484533

IUPACtert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate
SMILESCC(C)(C)OC(=O)C1NCc2nn(C(C)(C)C)cc21
InChIInChI=1S/C14H23N3O2/c1-13(2,3)17-8-9-10(16-17)7-15-11(9)12(18)19-14(4,5)6/h8,11,15H,7H2,1-6H3
InChIKeyBZUDKSASAGAWMW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds1

About tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate

tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate (PubChem CID 165484533) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate
PubChem CID165484533
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate
SMILESCC(C)(C)OC(=O)C1NCc2nn(C(C)(C)C)cc21
InChIInChI=1S/C14H23N3O2/c1-13(2,3)17-8-9-10(16-17)7-15-11(9)12(18)19-14(4,5)6/h8,11,15H,7H2,1-6H3
InChIKeyBZUDKSASAGAWMW-UHFFFAOYSA-N
XLogP2.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
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tert-butyl 3-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate (CID 165484533) is tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate is CC(C)(C)OC(=O)C1NCc2nn(C(C)(C)C)cc21.
What is the InChIKey of tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate?
The InChIKey is BZUDKSASAGAWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-13(2,3)17-8-9-10(16-17)7-15-11(9)12(18)19-14(4,5)6/h8,11,15H,7H2,1-6H3.
What are the key properties of tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate?
tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate is sourced from PubChem (CID 165484533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).