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

C11H16N2O — CID 646576

IUPAC3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
SMILESCCc1n[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C11H16N2O/c1-4-7-10-8(13-12-7)5-11(2,3)6-9(10)14/h4-6H2,1-3H3,(H,12,13)
InChIKeyXANZTOAQZAOTIH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.13
Rot. Bonds1

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

3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one (PubChem CID 646576) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
PubChem CID646576
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
SMILESCCc1n[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C11H16N2O/c1-4-7-10-8(13-12-7)5-11(2,3)6-9(10)14/h4-6H2,1-3H3,(H,12,13)
InChIKeyXANZTOAQZAOTIH-UHFFFAOYSA-N
XLogP2.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.13
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
3-benzyl-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 705460
3-butyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one
CID 660850
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 66672245
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
methyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 2834781
methyl 6,6-dimethyl-4-oxo-3-propyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 2834783
3-Imino-6,6-dimethyl-1,2,3,5,6,7-hexahydro-4H-indazol-4-one
CID 389857
6,6-Dimethyl-1,5,6,7-tetrahydro-indazol-4-one
CID 19712410
6,6-dimethyl-3-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 3466503

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
The IUPAC name of 3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one (CID 646576) is 3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
The canonical SMILES for 3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one is CCc1n[nH]c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
The InChIKey is XANZTOAQZAOTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-7-10-8(13-12-7)5-11(2,3)6-9(10)14/h4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one?
3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one has a molecular weight of 192.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one is sourced from PubChem (CID 646576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).