5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine

C13H23N3O — CID 118489258

IUPAC5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
SMILESCOCCN1CCCc2[nH]nc(C(C)C)c2C1
InChIInChI=1S/C13H23N3O/c1-10(2)13-11-9-16(7-8-17-3)6-4-5-12(11)14-15-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyOHIAKVSXFOURIX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.93
Rot. Bonds4

About 5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine

5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine (PubChem CID 118489258) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
PubChem CID118489258
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
SMILESCOCCN1CCCc2[nH]nc(C(C)C)c2C1
InChIInChI=1S/C13H23N3O/c1-10(2)13-11-9-16(7-8-17-3)6-4-5-12(11)14-15-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyOHIAKVSXFOURIX-UHFFFAOYSA-N
XLogP1.93
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.93
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-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The IUPAC name of 5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine (CID 118489258) is 5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine.
What is the SMILES notation for 5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The canonical SMILES for 5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine is COCCN1CCCc2[nH]nc(C(C)C)c2C1.
What is the InChIKey of 5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The InChIKey is OHIAKVSXFOURIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)13-11-9-16(7-8-17-3)6-4-5-12(11)14-15-13/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine has a molecular weight of 237.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine is sourced from PubChem (CID 118489258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).