tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate

C11H18N4O2 — CID 71647969

IUPACtert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
SMILESCn1nc2c(c1N)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-5-7-8(6-15)13-14(4)9(7)12/h5-6,12H2,1-4H3
InChIKeyODIVUTYLRSRFNL-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.25
Rot. Bonds

About tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate

tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate (PubChem CID 71647969) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
PubChem CID71647969
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nametert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
SMILESCn1nc2c(c1N)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-5-7-8(6-15)13-14(4)9(7)12/h5-6,12H2,1-4H3
InChIKeyODIVUTYLRSRFNL-UHFFFAOYSA-N
XLogP1.25
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The IUPAC name of tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate (CID 71647969) is tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The canonical SMILES for tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate is Cn1nc2c(c1N)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The InChIKey is ODIVUTYLRSRFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-5-7-8(6-15)13-14(4)9(7)12/h5-6,12H2,1-4H3.
What are the key properties of tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate is sourced from PubChem (CID 71647969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).