3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole

C11H16F2N2 — CID 144505218

IUPAC3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole
SMILESCCn1nc(C(F)F)c2c1CC(C)CC2
InChIInChI=1S/C11H16F2N2/c1-3-15-9-6-7(2)4-5-8(9)10(14-15)11(12)13/h7,11H,3-6H2,1-2H3
InChIKeySQSHBJZHYGBAKF-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.97
Rot. Bonds2

About 3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole

3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole (PubChem CID 144505218) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole
PubChem CID144505218
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole
SMILESCCn1nc(C(F)F)c2c1CC(C)CC2
InChIInChI=1S/C11H16F2N2/c1-3-15-9-6-7(2)4-5-8(9)10(14-15)11(12)13/h7,11H,3-6H2,1-2H3
InChIKeySQSHBJZHYGBAKF-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethynyl-1-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 145769935
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
3-ethynyl-2-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 126838928
1-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine hydrochloride
CID 165946402
(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)methanamine
CID 83383904
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-2-methyl-4,5,6,7-tetrahydroindazole
CID 12031302
4-(2-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydro-(2H)-indazol-3-yl)piperidine
CID 21912779
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine
CID 45096966
5-Amino-4,5,6,7-tetrahydro-1-methyl-3-trifluoromethyl-1H-indazole
CID 53406962
5-tert-butyl-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57559211
4-[[(1S,3S)-3-fluorocyclopentyl]methyl]-1,3,5-trimethylpyrazole
CID 58183059

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole (CID 144505218) is 3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole is CCn1nc(C(F)F)c2c1CC(C)CC2.
What is the InChIKey of 3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole?
The InChIKey is SQSHBJZHYGBAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-3-15-9-6-7(2)4-5-8(9)10(14-15)11(12)13/h7,11H,3-6H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole?
3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole has a molecular weight of 214.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 144505218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).