2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol

C16H28N2O — CID 141028868

IUPAC2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol
SMILESCC(C)C1CCc2c(C(C)(C)C)nn(CCO)c2C1
InChIInChI=1S/C16H28N2O/c1-11(2)12-6-7-13-14(10-12)18(8-9-19)17-15(13)16(3,4)5/h11-12,19H,6-10H2,1-5H3
InChIKeyFHHBBDSDSWBTJC-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.93
Rot. Bonds3

About 2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol

2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol (PubChem CID 141028868) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol
PubChem CID141028868
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol
SMILESCC(C)C1CCc2c(C(C)(C)C)nn(CCO)c2C1
InChIInChI=1S/C16H28N2O/c1-11(2)12-6-7-13-14(10-12)18(8-9-19)17-15(13)16(3,4)5/h11-12,19H,6-10H2,1-5H3
InChIKeyFHHBBDSDSWBTJC-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol 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

(3Br,4ar)-2-(3,4,4-trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)ethanol
CID 6935542
4-(2-Methylbutan-2-yl)-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 90162258
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-(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
3-(Difluoromethyl)-1-ethyl-6-methyl-4,5,6,7-tetrahydroindazole
CID 144505218
2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethane-1,1-diol
CID 162569789
2-(3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)ethanol
CID 4680832
2-Ethyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole
CID 18686295
2-[3-(2,4,4-Trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 22732616
3-tert-butyl-1-(2-hydroxyethyl)-6-propan-2-yl-6,7-dihydro-5H-indazol-4-one
CID 22732774

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
The IUPAC name of 2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol (CID 141028868) is 2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
The canonical SMILES for 2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol is CC(C)C1CCc2c(C(C)(C)C)nn(CCO)c2C1.
What is the InChIKey of 2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
The InChIKey is FHHBBDSDSWBTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)12-6-7-13-14(10-12)18(8-9-19)17-15(13)16(3,4)5/h11-12,19H,6-10H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol?
2-(3-tert-butyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol has a molecular weight of 264.41 g/mol, XLogP of 2.93, 3 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-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol is sourced from PubChem (CID 141028868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).