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

C9H12N2O — CID 19712410

IUPAC6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
SMILESCC1(C)CC(=O)c2cn[nH]c2C1
InChIInChI=1S/C9H12N2O/c1-9(2)3-7-6(5-10-11-7)8(12)4-9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyLNOAXGPGVISHPB-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.56
Rot. Bonds

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

6,6-dimethyl-5,7-dihydro-1H-indazol-4-one (PubChem CID 19712410) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 6,6-dimethyl-5,7-dihydro-1H-indazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
PubChem CID19712410
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
SMILESCC1(C)CC(=O)c2cn[nH]c2C1
InChIInChI=1S/C9H12N2O/c1-9(2)3-7-6(5-10-11-7)8(12)4-9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyLNOAXGPGVISHPB-UHFFFAOYSA-N
XLogP1.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.56
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
3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 1878753
4,5,6,7-tetrahydro-1H-indazol-4-one
CID 10171247
3-Ethyl-6,6-dimethyl-6,7-dihydro-1H-indazol-4(5H)-one
CID 646576
3-butyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 660850
6,6-Dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 44190463
6,6-dimethyl-3-propyl-5,7-dihydro-1H-indazol-4-one
CID 2276384
3-Imino-6,6-dimethyl-1,2,3,5,6,7-hexahydro-4H-indazol-4-one
CID 389857
4,5,6,7-tetrahydro-1H-indazol-6-one
CID 12898421
3-cyclohexyl-1H-pyrazole-4-carbaldehyde
CID 12140388
4,5-Dioxo-4,5,6,7-tetrahydroindazole
CID 69745042
3-Difluoromethyl-6,6-dimethyl-1,5,6,7-tetrahydro-indazol-4-one
CID 44190349

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
The IUPAC name of 6,6-dimethyl-5,7-dihydro-1H-indazol-4-one (CID 19712410) is 6,6-dimethyl-5,7-dihydro-1H-indazol-4-one.
What is the SMILES notation for 6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
The canonical SMILES for 6,6-dimethyl-5,7-dihydro-1H-indazol-4-one is CC1(C)CC(=O)c2cn[nH]c2C1.
What is the InChIKey of 6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
The InChIKey is LNOAXGPGVISHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-9(2)3-7-6(5-10-11-7)8(12)4-9/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
6,6-dimethyl-5,7-dihydro-1H-indazol-4-one has a molecular weight of 164.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5,7-dihydro-1H-indazol-4-one is sourced from PubChem (CID 19712410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).