methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate

C9H13N3O3 — CID 83848841

IUPACmethyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate
SMILESCOC(=O)N1Cc2c(c(=O)[nH]n2C)C1C
InChIInChI=1S/C9H13N3O3/c1-5-7-6(11(2)10-8(7)13)4-12(5)9(14)15-3/h5H,4H2,1-3H3,(H,10,13)
InChIKeyCXFILLFPTYROOG-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.36
Rot. Bonds

About methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate

methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate (PubChem CID 83848841) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate
PubChem CID83848841
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate
SMILESCOC(=O)N1Cc2c(c(=O)[nH]n2C)C1C
InChIInChI=1S/C9H13N3O3/c1-5-7-6(11(2)10-8(7)13)4-12(5)9(14)15-3/h5H,4H2,1-3H3,(H,10,13)
InChIKeyCXFILLFPTYROOG-UHFFFAOYSA-N
XLogP0.36
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate?
The IUPAC name of methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate (CID 83848841) is methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate is COC(=O)N1Cc2c(c(=O)[nH]n2C)C1C.
What is the InChIKey of methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate?
The InChIKey is CXFILLFPTYROOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-7-6(11(2)10-8(7)13)4-12(5)9(14)15-3/h5H,4H2,1-3H3,(H,10,13).
What are the key properties of methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate?
methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dimethyl-3-oxo-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylate is sourced from PubChem (CID 83848841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).