methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen

C8H13N3O2 — CID 169171872

IUPACmethyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen
SMILESCOC(=O)C1NCc2nn(C)cc21.[H][H]
InChIInChI=1S/C8H11N3O2.H2/c1-11-4-5-6(10-11)3-9-7(5)8(12)13-2;/h4,7,9H,3H2,1-2H3;1H
InChIKeyBGMKRSOECAKJSA-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.02
Rot. Bonds1

About methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen

methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen (PubChem CID 169171872) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namemethyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen
PubChem CID169171872
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen
SMILESCOC(=O)C1NCc2nn(C)cc21.[H][H]
InChIInChI=1S/C8H11N3O2.H2/c1-11-4-5-6(10-11)3-9-7(5)8(12)13-2;/h4,7,9H,3H2,1-2H3;1H
InChIKeyBGMKRSOECAKJSA-UHFFFAOYSA-N
XLogP-0.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen?
The IUPAC name of methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen (CID 169171872) is methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen.
What is the SMILES notation for methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen?
The canonical SMILES for methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen is COC(=O)C1NCc2nn(C)cc21.[H][H].
What is the InChIKey of methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen?
The InChIKey is BGMKRSOECAKJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.H2/c1-11-4-5-6(10-11)3-9-7(5)8(12)13-2;/h4,7,9H,3H2,1-2H3;1H.
What are the key properties of methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen?
methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen has a molecular weight of 183.21 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;molecular hydrogen is sourced from PubChem (CID 169171872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).