5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine

C11H19N3O — CID 118491654

IUPAC5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine
SMILESCOCCN1CCCc2n[nH]c(C)c2C1
InChIInChI=1S/C11H19N3O/c1-9-10-8-14(6-7-15-2)5-3-4-11(10)13-12-9/h3-8H2,1-2H3,(H,12,13)
InChIKeyIZFKUVGUCQVDOX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.11
Rot. Bonds3

About 5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine

5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine (PubChem CID 118491654) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine
PubChem CID118491654
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine
SMILESCOCCN1CCCc2n[nH]c(C)c2C1
InChIInChI=1S/C11H19N3O/c1-9-10-8-14(6-7-15-2)5-3-4-11(10)13-12-9/h3-8H2,1-2H3,(H,12,13)
InChIKeyIZFKUVGUCQVDOX-UHFFFAOYSA-N
XLogP1.11
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine?
The IUPAC name of 5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine (CID 118491654) is 5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine.
What is the SMILES notation for 5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine?
The canonical SMILES for 5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine is COCCN1CCCc2n[nH]c(C)c2C1.
What is the InChIKey of 5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine?
The InChIKey is IZFKUVGUCQVDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-10-8-14(6-7-15-2)5-3-4-11(10)13-12-9/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine?
5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine has a molecular weight of 209.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepine is sourced from PubChem (CID 118491654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).