1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C15H21N3O2 — CID 118739278

IUPAC1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCn1ncc2c1C(COC)CN(Cc1ccco1)C2
InChIInChI=1S/C15H21N3O2/c1-3-18-15-12(7-16-18)8-17(9-13(15)11-19-2)10-14-5-4-6-20-14/h4-7,13H,3,8-11H2,1-2H3
InChIKeyLWKXHVJIYHFHBR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.24
Rot. Bonds5

About 1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 118739278) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID118739278
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCn1ncc2c1C(COC)CN(Cc1ccco1)C2
InChIInChI=1S/C15H21N3O2/c1-3-18-15-12(7-16-18)8-17(9-13(15)11-19-2)10-14-5-4-6-20-14/h4-7,13H,3,8-11H2,1-2H3
InChIKeyLWKXHVJIYHFHBR-UHFFFAOYSA-N
XLogP2.24
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 118739278) is 1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is CCn1ncc2c1C(COC)CN(Cc1ccco1)C2.
What is the InChIKey of 1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is LWKXHVJIYHFHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-18-15-12(7-16-18)8-17(9-13(15)11-19-2)10-14-5-4-6-20-14/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of 1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 275.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 118739278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).