3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine

C11H19N3O — CID 144718796

IUPAC3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
SMILESCCc1n[nH]c2c1CN(COC)CCC2
InChIInChI=1S/C11H19N3O/c1-3-10-9-7-14(8-15-2)6-4-5-11(9)13-12-10/h3-8H2,1-2H3,(H,12,13)
InChIKeyVIDXFAMAAFCKLO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.32
Rot. Bonds3

About 3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine

3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine (PubChem CID 144718796) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine.

Molecular Properties

Compound Name3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
PubChem CID144718796
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
SMILESCCc1n[nH]c2c1CN(COC)CCC2
InChIInChI=1S/C11H19N3O/c1-3-10-9-7-14(8-15-2)6-4-5-11(9)13-12-10/h3-8H2,1-2H3,(H,12,13)
InChIKeyVIDXFAMAAFCKLO-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The IUPAC name of 3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine (CID 144718796) is 3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine.
What is the SMILES notation for 3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The canonical SMILES for 3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine is CCc1n[nH]c2c1CN(COC)CCC2.
What is the InChIKey of 3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The InChIKey is VIDXFAMAAFCKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-10-9-7-14(8-15-2)6-4-5-11(9)13-12-10/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine has a molecular weight of 209.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(methoxymethyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine is sourced from PubChem (CID 144718796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).