1,5,6,7-tetrahydroindazol-4-one

C7H8N2O — CID 10171247

IUPAC1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1CCCc2[nH]ncc21
InChIInChI=1S/C7H8N2O/c10-7-3-1-2-6-5(7)4-8-9-6/h4H,1-3H2,(H,8,9)
InChIKeyFUVZDXDCPRQZSQ-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.93
Rot. Bonds

About 1,5,6,7-tetrahydroindazol-4-one

1,5,6,7-tetrahydroindazol-4-one (PubChem CID 10171247) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name1,5,6,7-tetrahydroindazol-4-one
PubChem CID10171247
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1CCCc2[nH]ncc21
InChIInChI=1S/C7H8N2O/c10-7-3-1-2-6-5(7)4-8-9-6/h4H,1-3H2,(H,8,9)
InChIKeyFUVZDXDCPRQZSQ-UHFFFAOYSA-N
XLogP0.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 657436
6,6-Dimethyl-1,5,6,7-tetrahydro-indazol-4-one
CID 19712410
1H,4H,5H,6H-cyclopenta(c)pyrazol-4-one
CID 10192567
4,5,6,7-tetrahydro-1H-indazol-6-one
CID 12898421
4,5,6,7-tetrahydro-1H-indazol-7-one
CID 69896970
4,5,6,7-tetrahydro-1H-indazol-5-one hydrochloride
CID 155821028
3-cyclohexyl-1H-pyrazole-4-carbaldehyde
CID 12140388
4,5-Dioxo-4,5,6,7-tetrahydroindazole
CID 69745042
4,5,6,7-Tetrahydro-2h-indazole-5-carboxamide
CID 131086682
4,5,6,7-Tetrahydro-5(1h)-indazolone
CID 55254747
7-(1,1,1-Trifluoro-2-methylpropan-2-yl)-1,5,6,7-tetrahydroindazol-4-one
CID 70106438
1-[5-(difluoromethyl)-1H-pyrazol-4-yl]butan-1-one
CID 134205468

Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 1,5,6,7-tetrahydroindazol-4-one (CID 10171247) is 1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 1,5,6,7-tetrahydroindazol-4-one is O=C1CCCc2[nH]ncc21.
What is the InChIKey of 1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is FUVZDXDCPRQZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-7-3-1-2-6-5(7)4-8-9-6/h4H,1-3H2,(H,8,9).
What are the key properties of 1,5,6,7-tetrahydroindazol-4-one?
1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 136.15 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 10171247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).