3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one

C12H11N3O — CID 3237304

IUPAC3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1CCCc2[nH]nc(-c3cccnc3)c21
InChIInChI=1S/C12H11N3O/c16-10-5-1-4-9-11(10)12(15-14-9)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2,(H,14,15)
InChIKeyICNRVPXLXSYJRX-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.99
Rot. Bonds1

About 3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one

3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 3237304) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one
PubChem CID3237304
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1CCCc2[nH]nc(-c3cccnc3)c21
InChIInChI=1S/C12H11N3O/c16-10-5-1-4-9-11(10)12(15-14-9)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2,(H,14,15)
InChIKeyICNRVPXLXSYJRX-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ibudilast
CID 3671
1-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 2497380
1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 4738557
6,6-dimethyl-3-pyridin-3-yl-5,7-dihydro-1H-indazol-4-one
CID 712791
6,6-Dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one
CID 752155
2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one
CID 3241417
N-(3-acetylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 5309500
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione
CID 24995075
(1H-Indazol-3-yl)(2-{[(pyridin-4-yl)methyl]amino}phenyl)methanone
CID 44577698
2-Pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 153978638
KC 764
CID 146826

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one (CID 3237304) is 3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one is O=C1CCCc2[nH]nc(-c3cccnc3)c21.
What is the InChIKey of 3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is ICNRVPXLXSYJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-10-5-1-4-9-11(10)12(15-14-9)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2,(H,14,15).
What are the key properties of 3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one?
3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 213.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 3237304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).