7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one

C7H7N3O — CID 137156094

IUPAC7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one
SMILESO=C1C=CCNc2[nH]ncc21
InChIInChI=1S/C7H7N3O/c11-6-2-1-3-8-7-5(6)4-9-10-7/h1-2,4H,3H2,(H2,8,9,10)
InChIKeyPTQPHSDNCFTOAT-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.57
Rot. Bonds

About 7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one

7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one (PubChem CID 137156094) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one.

Molecular Properties

Compound Name7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one
PubChem CID137156094
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one
SMILESO=C1C=CCNc2[nH]ncc21
InChIInChI=1S/C7H7N3O/c11-6-2-1-3-8-7-5(6)4-9-10-7/h1-2,4H,3H2,(H2,8,9,10)
InChIKeyPTQPHSDNCFTOAT-UHFFFAOYSA-N
XLogP0.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135741602
6-Amino-1H-pyrazolo[3,4-b]pyridin-4(2H)-one
CID 135468205
2-Methyl-7,8-dihydropyrazolo[3,4-b]azepin-4-one
CID 136600765
6-methyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 136951526
1,7-Dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride
CID 137303534
1H-pyrazolo[5,4-b]azepin-4-one
CID 141629210
1-Phosphanyl-7,8-dihydropyrazolo[5,4-b]azepin-4-one
CID 145612938
1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone
CID 146364162
4-Hydroxy-1H-pyrazolo[3,4-B]pyridine-6-carbonitrile
CID 137214108
1-[5-(prop-2-enylamino)-1H-pyrazol-4-yl]ethanone
CID 144315342
6-methyl-1H,4H,7H-pyrazolo[3,4-b]pyridin-4-one hydrochloride
CID 167733579
5-Amino-6-methyl-2,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-one
CID 168447278

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one?
The IUPAC name of 7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one (CID 137156094) is 7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one.
What is the SMILES notation for 7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one?
The canonical SMILES for 7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one is O=C1C=CCNc2[nH]ncc21.
What is the InChIKey of 7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one?
The InChIKey is PTQPHSDNCFTOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-6-2-1-3-8-7-5(6)4-9-10-7/h1-2,4H,3H2,(H2,8,9,10).
What are the key properties of 7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one?
7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one has a molecular weight of 149.15 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-1H-pyrazolo[5,4-b]azepin-4-one is sourced from PubChem (CID 137156094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).