1-Ethyl-3-(pyridin-2-ylmethyl)-1,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
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Basic information
- CAS
641592-92-9- Standard SMILES
CCn1nc(Cc2ccccn2)c2c1NCC2- InChIKey
DCQFAPLRVWNDAW-UHFFFAOYSA-N- Molecular formula
- C13H16N4
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.13749653
Names & identifiers
- Preferred name
- 1-Ethyl-3-(pyridin-2-ylmethyl)-1,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
- IUPAC
- 1-ethyl-3-(pyridin-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
- English name
- Pyrrolo[2,3-c]pyrazole, 1-ethyl-1,4,5,6-tetrahydro-3-(2-pyridinylmethyl)- (9CI)
- Molecular formula
- C13H16N4
- Molecular weight
- 228.29
Names & synonyms
641592-92-91-Ethyl-3-(pyridin-2-ylmethyl)-1,4,5,6-tetrahydropyrrolo[2,3-c]pyrazolePyrrolo[2,3-c]pyrazole, 1-ethyl-1,4,5,6-tetrahydro-3-(2-pyridinylmethyl)-Pyrrolo[2,3-c]pyrazole, 1-ethyl-1,4,5,6-tetrahydro-3-(2-pyridinylmethyl)- (9CI)
Database identifiers
- CAS
641592-92-9- PubChem CID
- 3440840
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
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Compound notes
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