5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one

C7H9N3O — CID 83679452

IUPAC5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one
SMILESO=C1NCCCc2[nH]ncc21
InChIInChI=1S/C7H9N3O/c11-7-5-4-9-10-6(5)2-1-3-8-7/h4H,1-3H2,(H,8,11)(H,9,10)
InChIKeyLQCIUVMGMAXANC-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.09
Rot. Bonds

About 5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one

5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one (PubChem CID 83679452) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one
PubChem CID83679452
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one
SMILESO=C1NCCCc2[nH]ncc21
InChIInChI=1S/C7H9N3O/c11-7-5-4-9-10-6(5)2-1-3-8-7/h4H,1-3H2,(H,8,11)(H,9,10)
InChIKeyLQCIUVMGMAXANC-UHFFFAOYSA-N
XLogP0.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one?
The IUPAC name of 5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one (CID 83679452) is 5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one?
The canonical SMILES for 5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one is O=C1NCCCc2[nH]ncc21.
What is the InChIKey of 5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one?
The InChIKey is LQCIUVMGMAXANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-5-4-9-10-6(5)2-1-3-8-7/h4H,1-3H2,(H,8,11)(H,9,10).
What are the key properties of 5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one?
5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one has a molecular weight of 151.17 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-4-one is sourced from PubChem (CID 83679452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).