5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C14H25N3O2 — CID 118746678

IUPAC5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCOCCN1Cc2cnn(C)c2C(COCC)C1
InChIInChI=1S/C14H25N3O2/c1-4-18-7-6-17-9-12-8-15-16(3)14(12)13(10-17)11-19-5-2/h8,13H,4-7,9-11H2,1-3H3
InChIKeyMIFQPXANJURWOB-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.39
Rot. Bonds7

About 5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 118746678) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID118746678
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCOCCN1Cc2cnn(C)c2C(COCC)C1
InChIInChI=1S/C14H25N3O2/c1-4-18-7-6-17-9-12-8-15-16(3)14(12)13(10-17)11-19-5-2/h8,13H,4-7,9-11H2,1-3H3
InChIKeyMIFQPXANJURWOB-UHFFFAOYSA-N
XLogP1.39
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 118746678) is 5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is CCOCCN1Cc2cnn(C)c2C(COCC)C1.
What is the InChIKey of 5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is MIFQPXANJURWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-18-7-6-17-9-12-8-15-16(3)14(12)13(10-17)11-19-5-2/h8,13H,4-7,9-11H2,1-3H3.
What are the key properties of 5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 267.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 118746678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).