ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate

C12H18N4O3 — CID 58015701

IUPACethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate
SMILESCCOC(=O)n1nc2c(c1NC(C)=O)CNC2(C)C
InChIInChI=1S/C12H18N4O3/c1-5-19-11(18)16-10(14-7(2)17)8-6-13-12(3,4)9(8)15-16/h13H,5-6H2,1-4H3,(H,14,17)
InChIKeySWEQEGGBQWKINL-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.18
Rot. Bonds2

About ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate

ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate (PubChem CID 58015701) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate
PubChem CID58015701
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate
SMILESCCOC(=O)n1nc2c(c1NC(C)=O)CNC2(C)C
InChIInChI=1S/C12H18N4O3/c1-5-19-11(18)16-10(14-7(2)17)8-6-13-12(3,4)9(8)15-16/h13H,5-6H2,1-4H3,(H,14,17)
InChIKeySWEQEGGBQWKINL-UHFFFAOYSA-N
XLogP1.18
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate?
The IUPAC name of ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate (CID 58015701) is ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate.
What is the SMILES notation for ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate?
The canonical SMILES for ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate is CCOC(=O)n1nc2c(c1NC(C)=O)CNC2(C)C.
What is the InChIKey of ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate?
The InChIKey is SWEQEGGBQWKINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-5-19-11(18)16-10(14-7(2)17)8-6-13-12(3,4)9(8)15-16/h13H,5-6H2,1-4H3,(H,14,17).
What are the key properties of ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate?
ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetamido-6,6-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazole-2-carboxylate is sourced from PubChem (CID 58015701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).