3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole

C12H20N2 — CID 123750733

IUPAC3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole
SMILESCCc1nn(C)c2c1CCC(C)(C)C2
InChIInChI=1S/C12H20N2/c1-5-10-9-6-7-12(2,3)8-11(9)14(4)13-10/h5-8H2,1-4H3
InChIKeyVLEVGFLEWIGADN-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.50
Rot. Bonds1

About 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole

3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole (PubChem CID 123750733) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole.

Molecular Properties

Compound Name3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole
PubChem CID123750733
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole
SMILESCCc1nn(C)c2c1CCC(C)(C)C2
InChIInChI=1S/C12H20N2/c1-5-10-9-6-7-12(2,3)8-11(9)14(4)13-10/h5-8H2,1-4H3
InChIKeyVLEVGFLEWIGADN-UHFFFAOYSA-N
XLogP2.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole 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

3-(chloromethyl)-1,6,6-trimethyl-5,7-dihydro-4H-indazole
CID 91098240
3-ethyl-1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 123686375
3-iodo-1,5,5-trimethyl-6,7-dihydro-4H-indazole
CID 71280134
3-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-6-amine
CID 142607886
1,3-diethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazole
CID 121390649
pent-1-en-2-yl-(1,5,5-trimethyl-6,7-dihydro-4H-indazol-3-yl)tin
CID 163522103
amino N-[1-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)ethenyl]-1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboximidate
CID 89062156
2-(2,2-dimethoxyethylamino)-4-(3-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)-6-fluorobenzamide
CID 118939319
3-[4-(2-iodoethyl)-3,5-dimethylphenyl]-5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazole
CID 67416932
2-[[4-(2,2-dimethylpropylamino)cyclohexyl]amino]-4-(3-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)-6-fluorobenzamide
CID 118939457
4-[2,6-dimethyl-4-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]butan-2-one
CID 91431191
(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanesulfonyl chloride
CID 84706764

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole?
The IUPAC name of 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole (CID 123750733) is 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole.
What is the SMILES notation for 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole?
The canonical SMILES for 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole is CCc1nn(C)c2c1CCC(C)(C)C2.
What is the InChIKey of 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole?
The InChIKey is VLEVGFLEWIGADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-10-9-6-7-12(2,3)8-11(9)14(4)13-10/h5-8H2,1-4H3.
What are the key properties of 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole?
3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole has a molecular weight of 192.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,6,6-trimethyl-5,7-dihydro-4H-indazole is sourced from PubChem (CID 123750733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).