2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol

C20H28N2O — CID 23498884

IUPAC2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol
SMILESCC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(CCO)cc21
InChIInChI=1S/C20H28N2O/c1-19(2)7-8-20(3,4)18-13-16(14-22-10-5-9-21-22)15(6-11-23)12-17(18)19/h5,9-10,12-13,23H,6-8,11,14H2,1-4H3
InChIKeyANGRXFNTHOFREX-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.82
Rot. Bonds4

About 2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol

2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol (PubChem CID 23498884) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol.

Molecular Properties

Compound Name2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol
PubChem CID23498884
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol
SMILESCC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(CCO)cc21
InChIInChI=1S/C20H28N2O/c1-19(2)7-8-20(3,4)18-13-16(14-22-10-5-9-21-22)15(6-11-23)12-17(18)19/h5,9-10,12-13,23H,6-8,11,14H2,1-4H3
InChIKeyANGRXFNTHOFREX-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]ethyl]pyrazole
CID 23518533
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 22456869
1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 91461332
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
4-(hydroxymethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56908922
N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 107235050
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301019
1-[[1,3,4,5,6,7,8-heptakis(pyrazol-1-ylmethyl)biphenylen-2-yl]methyl]pyrazole
CID 139060151
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 111505115
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676

Frequently Asked Questions

What is the IUPAC name of 2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol?
The IUPAC name of 2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol (CID 23498884) is 2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol.
What is the SMILES notation for 2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol?
The canonical SMILES for 2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol is CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(CCO)cc21.
What is the InChIKey of 2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol?
The InChIKey is ANGRXFNTHOFREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-19(2)7-8-20(3,4)18-13-16(14-22-10-5-9-21-22)15(6-11-23)12-17(18)19/h5,9-10,12-13,23H,6-8,11,14H2,1-4H3.
What are the key properties of 2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol?
2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol has a molecular weight of 312.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethanol is sourced from PubChem (CID 23498884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).