5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone

C15H21N3O2 — CID 128894147

IUPAC5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCC2)N1CC2CCC(O)CC2C1
InChIInChI=1S/C15H21N3O2/c19-13-4-3-10-8-17(9-11(10)6-13)15(20)14-7-12-2-1-5-18(12)16-14/h7,10-11,13,19H,1-6,8-9H2
InChIKeyXRJXUIHGYPFQFP-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.06
Rot. Bonds1

About 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone

5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone (PubChem CID 128894147) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone
PubChem CID128894147
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCC2)N1CC2CCC(O)CC2C1
InChIInChI=1S/C15H21N3O2/c19-13-4-3-10-8-17(9-11(10)6-13)15(20)14-7-12-2-1-5-18(12)16-14/h7,10-11,13,19H,1-6,8-9H2
InChIKeyXRJXUIHGYPFQFP-UHFFFAOYSA-N
XLogP1.06
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone?
The IUPAC name of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone (CID 128894147) is 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone.
What is the SMILES notation for 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone?
The canonical SMILES for 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone is O=C(c1cc2n(n1)CCC2)N1CC2CCC(O)CC2C1.
What is the InChIKey of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone?
The InChIKey is XRJXUIHGYPFQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-13-4-3-10-8-17(9-11(10)6-13)15(20)14-7-12-2-1-5-18(12)16-14/h7,10-11,13,19H,1-6,8-9H2.
What are the key properties of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone?
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone is sourced from PubChem (CID 128894147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).