2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C8H13N3O — CID 142527806

IUPAC2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOCCn1cc2c(n1)CNC2
InChIInChI=1S/C8H13N3O/c1-12-3-2-11-6-7-4-9-5-8(7)10-11/h6,9H,2-5H2,1H3
InChIKeyVFODWGHTUIAMLD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.13
Rot. Bonds3

About 2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 142527806) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID142527806
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOCCn1cc2c(n1)CNC2
InChIInChI=1S/C8H13N3O/c1-12-3-2-11-6-7-4-9-5-8(7)10-11/h6,9H,2-5H2,1H3
InChIKeyVFODWGHTUIAMLD-UHFFFAOYSA-N
XLogP0.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 142527806) is 2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is COCCn1cc2c(n1)CNC2.
What is the InChIKey of 2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is VFODWGHTUIAMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-12-3-2-11-6-7-4-9-5-8(7)10-11/h6,9H,2-5H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 167.21 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 142527806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).