1,3-dimethyl-6,7-dihydro-5H-indazol-4-one

C9H12N2O — CID 14126679

IUPAC1,3-dimethyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(C)c2c1C(=O)CCC2
InChIInChI=1S/C9H12N2O/c1-6-9-7(11(2)10-6)4-3-5-8(9)12/h3-5H2,1-2H3
InChIKeyKVIYWNOWYQFRMF-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.25
Rot. Bonds

About 1,3-dimethyl-6,7-dihydro-5H-indazol-4-one

1,3-dimethyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 14126679) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,3-dimethyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1,3-dimethyl-6,7-dihydro-5H-indazol-4-one
PubChem CID14126679
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1,3-dimethyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(C)c2c1C(=O)CCC2
InChIInChI=1S/C9H12N2O/c1-6-9-7(11(2)10-6)4-3-5-8(9)12/h3-5H2,1-2H3
InChIKeyKVIYWNOWYQFRMF-UHFFFAOYSA-N
XLogP1.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-6,7-dihydro-5H-indazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Hydroxyethyl)-3-Methyl-6,7-Dihydro-5~{h}-Indazol-4-One
CID 660882
1-Methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 2765796
ethyl (3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetate
CID 950072
1-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 14435009
6,6,9-trimethyl-5,6,7-trihydro-4H-pyrazolidino[1,2-a]indazol-8-one, bromide
CID 659158
1,2-Diethyl-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindazolium iodide
CID 9550227
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 19371779
2-Methyl-2,5,6,7-tetrahydro-4H-indazol-4-one
CID 24853638
2,3-dimethyl-6,7-dihydro-5H-indazol-4-one
CID 68059397
2-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carbaldehyde
CID 83383385
Cambridge id 5220612
CID 749823
1-(trimethyl-1H-pyrazol-4-yl)propan-1-one
CID 793095

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-indazol-4-one (CID 14126679) is 1,3-dimethyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1,3-dimethyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1,3-dimethyl-6,7-dihydro-5H-indazol-4-one is Cc1nn(C)c2c1C(=O)CCC2.
What is the InChIKey of 1,3-dimethyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is KVIYWNOWYQFRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-9-7(11(2)10-6)4-3-5-8(9)12/h3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-6,7-dihydro-5H-indazol-4-one?
1,3-dimethyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 164.21 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 14126679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).