2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol

C15H26N2O — CID 141028870

IUPAC2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol
SMILESCC(C)Cc1nn(CCO)c2c1CCC(C)(C)C2
InChIInChI=1S/C15H26N2O/c1-11(2)9-13-12-5-6-15(3,4)10-14(12)17(16-13)7-8-18/h11,18H,5-10H2,1-4H3
InChIKeyAAZNIFXMJIIOJZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.59
Rot. Bonds4

About 2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol

2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol (PubChem CID 141028870) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol
PubChem CID141028870
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol
SMILESCC(C)Cc1nn(CCO)c2c1CCC(C)(C)C2
InChIInChI=1S/C15H26N2O/c1-11(2)9-13-12-5-6-15(3,4)10-14(12)17(16-13)7-8-18/h11,18H,5-10H2,1-4H3
InChIKeyAAZNIFXMJIIOJZ-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.59
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol?
The IUPAC name of 2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol (CID 141028870) is 2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol.
What is the SMILES notation for 2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol?
The canonical SMILES for 2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol is CC(C)Cc1nn(CCO)c2c1CCC(C)(C)C2.
What is the InChIKey of 2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol?
The InChIKey is AAZNIFXMJIIOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)9-13-12-5-6-15(3,4)10-14(12)17(16-13)7-8-18/h11,18H,5-10H2,1-4H3.
What are the key properties of 2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol?
2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-indazol-1-yl]ethanol is sourced from PubChem (CID 141028870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).