2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C17H30N2O — CID 22732616

IUPAC2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(Cc1nn(CCO)c2c1CCCC2)CC(C)(C)C
InChIInChI=1S/C17H30N2O/c1-13(12-17(2,3)4)11-15-14-7-5-6-8-16(14)19(18-15)9-10-20/h13,20H,5-12H2,1-4H3
InChIKeyCPGRDWLNTARZPU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.37
Rot. Bonds5

About 2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 22732616) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID22732616
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(Cc1nn(CCO)c2c1CCCC2)CC(C)(C)C
InChIInChI=1S/C17H30N2O/c1-13(12-17(2,3)4)11-15-14-7-5-6-8-16(14)19(18-15)9-10-20/h13,20H,5-12H2,1-4H3
InChIKeyCPGRDWLNTARZPU-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
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
3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole
CID 90162172
4-(2-Methylbutan-2-yl)-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 90162258
2-[3-(Difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]ethane-1,1-diol
CID 144506077
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 22732616) is 2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CC(Cc1nn(CCO)c2c1CCCC2)CC(C)(C)C.
What is the InChIKey of 2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is CPGRDWLNTARZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(12-17(2,3)4)11-15-14-7-5-6-8-16(14)19(18-15)9-10-20/h13,20H,5-12H2,1-4H3.
What are the key properties of 2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 278.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4,4-trimethylpentyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 22732616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).