2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone

C15H23N3O — CID 102893745

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1C(=O)CC1NCC2CCCC21
InChIInChI=1S/C15H23N3O/c1-9-15(10(2)18(3)17-9)14(19)7-13-12-6-4-5-11(12)8-16-13/h11-13,16H,4-8H2,1-3H3
InChIKeyOJKGILAZFYLUOJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.00
Rot. Bonds3

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 102893745) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID102893745
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1C(=O)CC1NCC2CCCC21
InChIInChI=1S/C15H23N3O/c1-9-15(10(2)18(3)17-9)14(19)7-13-12-6-4-5-11(12)8-16-13/h11-13,16H,4-8H2,1-3H3
InChIKeyOJKGILAZFYLUOJ-UHFFFAOYSA-N
XLogP2.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 102893745) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1nn(C)c(C)c1C(=O)CC1NCC2CCCC21.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is OJKGILAZFYLUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9-15(10(2)18(3)17-9)14(19)7-13-12-6-4-5-11(12)8-16-13/h11-13,16H,4-8H2,1-3H3.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 102893745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).