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

C9H14N4O2 — CID 83848791

IUPACmethyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
SMILESCOC(=O)N1Cc2c(nn(C)c2N)C1C
InChIInChI=1S/C9H14N4O2/c1-5-7-6(8(10)12(2)11-7)4-13(5)9(14)15-3/h5H,4,10H2,1-3H3
InChIKeyLUDSABSTFBISQM-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.65
Rot. Bonds

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

methyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate (PubChem CID 83848791) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is methyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
PubChem CID83848791
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namemethyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
SMILESCOC(=O)N1Cc2c(nn(C)c2N)C1C
InChIInChI=1S/C9H14N4O2/c1-5-7-6(8(10)12(2)11-7)4-13(5)9(14)15-3/h5H,4,10H2,1-3H3
InChIKeyLUDSABSTFBISQM-UHFFFAOYSA-N
XLogP0.65
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The IUPAC name of methyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate (CID 83848791) is methyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate is COC(=O)N1Cc2c(nn(C)c2N)C1C.
What is the InChIKey of methyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
The InChIKey is LUDSABSTFBISQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5-7-6(8(10)12(2)11-7)4-13(5)9(14)15-3/h5H,4,10H2,1-3H3.
What are the key properties of methyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate?
methyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate has a molecular weight of 210.24 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate is sourced from PubChem (CID 83848791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).