1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C15H21N3OS — CID 118739696

IUPAC1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCn1ncc2c1C(COC)CN(Cc1ccsc1)C2
InChIInChI=1S/C15H21N3OS/c1-3-18-15-13(6-16-18)8-17(9-14(15)10-19-2)7-12-4-5-20-11-12/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyPRNNXFWFDJSKSD-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.71
Rot. Bonds5

About 1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 118739696) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID118739696
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCn1ncc2c1C(COC)CN(Cc1ccsc1)C2
InChIInChI=1S/C15H21N3OS/c1-3-18-15-13(6-16-18)8-17(9-14(15)10-19-2)7-12-4-5-20-11-12/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyPRNNXFWFDJSKSD-UHFFFAOYSA-N
XLogP2.71
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 118739696) is 1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is CCn1ncc2c1C(COC)CN(Cc1ccsc1)C2.
What is the InChIKey of 1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is PRNNXFWFDJSKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-18-15-13(6-16-18)8-17(9-14(15)10-19-2)7-12-4-5-20-11-12/h4-6,11,14H,3,7-10H2,1-2H3.
What are the key properties of 1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 291.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 118739696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).