2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol

C15H26N2O — CID 141028867

IUPAC2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol
SMILESCC1(C)CCc2c(C(C)(C)C)nn(CCO)c2C1
InChIInChI=1S/C15H26N2O/c1-14(2,3)13-11-6-7-15(4,5)10-12(11)17(16-13)8-9-18/h18H,6-10H2,1-5H3
InChIKeyQUFHMZFEJKYMGO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds2

About 2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol

2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol (PubChem CID 141028867) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol
PubChem CID141028867
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol
SMILESCC1(C)CCc2c(C(C)(C)C)nn(CCO)c2C1
InChIInChI=1S/C15H26N2O/c1-14(2,3)13-11-6-7-15(4,5)10-12(11)17(16-13)8-9-18/h18H,6-10H2,1-5H3
InChIKeyQUFHMZFEJKYMGO-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Ditert-butylpyrazol-1-yl)ethanol
CID 43531678
3-Tert-butyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 58720021
6-Methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 90162162
3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole
CID 90162172
6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole
CID 90162190
2-[6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
CID 124137068
2-[3-(Difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]ethane-1,1-diol
CID 144506077
1-ethoxy-2-[3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]-1-yl]ethanol
CID 163867657
2-[1-(2-Hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82591984
2-[4-Amino-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82592181
2-[4-(2-Aminoethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82592912
2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethan-1-ol
CID 121214608

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol?
The IUPAC name of 2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol (CID 141028867) is 2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol?
The canonical SMILES for 2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol is CC1(C)CCc2c(C(C)(C)C)nn(CCO)c2C1.
What is the InChIKey of 2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol?
The InChIKey is QUFHMZFEJKYMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14(2,3)13-11-6-7-15(4,5)10-12(11)17(16-13)8-9-18/h18H,6-10H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol?
2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)ethanol is sourced from PubChem (CID 141028867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).