3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane

C10H18N2 — CID 145221517

IUPAC3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane
SMILESCC.Cc1cnn2c1CC(C)C2
InChIInChI=1S/C8H12N2.C2H6/c1-6-3-8-7(2)4-9-10(8)5-6;1-2/h4,6H,3,5H2,1-2H3;1-2H3
InChIKeyXGBOZKFXRUCFLY-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.41
Rot. Bonds

About 3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane

3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane (PubChem CID 145221517) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane
PubChem CID145221517
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane
SMILESCC.Cc1cnn2c1CC(C)C2
InChIInChI=1S/C8H12N2.C2H6/c1-6-3-8-7(2)4-9-10(8)5-6;1-2/h4,6H,3,5H2,1-2H3;1-2H3
InChIKeyXGBOZKFXRUCFLY-UHFFFAOYSA-N
XLogP2.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane?
The IUPAC name of 3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane (CID 145221517) is 3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane.
What is the SMILES notation for 3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane?
The canonical SMILES for 3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane is CC.Cc1cnn2c1CC(C)C2.
What is the InChIKey of 3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane?
The InChIKey is XGBOZKFXRUCFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-6-3-8-7(2)4-9-10(8)5-6;1-2/h4,6H,3,5H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane?
3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane has a molecular weight of 166.27 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;ethane is sourced from PubChem (CID 145221517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).