ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate

C10H16N4O2 — CID 67008246

IUPACethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(N)c2c1C(C)(C)NC2
InChIInChI=1S/C10H16N4O2/c1-4-16-9(15)14-7-6(8(11)13-14)5-12-10(7,2)3/h12H,4-5H2,1-3H3,(H2,11,13)
InChIKeyFFJZALKNJUHSET-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.81
Rot. Bonds1

About ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate

ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate (PubChem CID 67008246) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate
PubChem CID67008246
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nameethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(N)c2c1C(C)(C)NC2
InChIInChI=1S/C10H16N4O2/c1-4-16-9(15)14-7-6(8(11)13-14)5-12-10(7,2)3/h12H,4-5H2,1-3H3,(H2,11,13)
InChIKeyFFJZALKNJUHSET-UHFFFAOYSA-N
XLogP0.81
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate?
The IUPAC name of ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate (CID 67008246) is ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate.
What is the SMILES notation for ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate?
The canonical SMILES for ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate is CCOC(=O)n1nc(N)c2c1C(C)(C)NC2.
What is the InChIKey of ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate?
The InChIKey is FFJZALKNJUHSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-16-9(15)14-7-6(8(11)13-14)5-12-10(7,2)3/h12H,4-5H2,1-3H3,(H2,11,13).
What are the key properties of ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate?
ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6,6-dimethyl-4,5-dihydropyrrolo[3,4-d]pyrazole-1-carboxylate is sourced from PubChem (CID 67008246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).