[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone

C15H24N4O2 — CID 118739384

IUPAC[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCOCC1CN(C(=O)N2CCCC2)Cc2cnn(C)c21
InChIInChI=1S/C15H24N4O2/c1-3-21-11-13-10-19(15(20)18-6-4-5-7-18)9-12-8-16-17(2)14(12)13/h8,13H,3-7,9-11H2,1-2H3
InChIKeyLRGHSZIZJBYBNJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.57
Rot. Bonds3

About [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone

[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118739384) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID118739384
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCOCC1CN(C(=O)N2CCCC2)Cc2cnn(C)c21
InChIInChI=1S/C15H24N4O2/c1-3-21-11-13-10-19(15(20)18-6-4-5-7-18)9-12-8-16-17(2)14(12)13/h8,13H,3-7,9-11H2,1-2H3
InChIKeyLRGHSZIZJBYBNJ-UHFFFAOYSA-N
XLogP1.57
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone (CID 118739384) is [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone is CCOCC1CN(C(=O)N2CCCC2)Cc2cnn(C)c21.
What is the InChIKey of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LRGHSZIZJBYBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-21-11-13-10-19(15(20)18-6-4-5-7-18)9-12-8-16-17(2)14(12)13/h8,13H,3-7,9-11H2,1-2H3.
What are the key properties of [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 292.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118739384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).