2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol

C15H20N2O — CID 114220124

IUPAC2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1ccc(CC(O)c2cc(C)n(C)n2)cc1C
InChIInChI=1S/C15H20N2O/c1-10-5-6-13(7-11(10)2)9-15(18)14-8-12(3)17(4)16-14/h5-8,15,18H,9H2,1-4H3
InChIKeyINQLMDYYFPKVHU-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.62
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol

2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 114220124) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
PubChem CID114220124
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1ccc(CC(O)c2cc(C)n(C)n2)cc1C
InChIInChI=1S/C15H20N2O/c1-10-5-6-13(7-11(10)2)9-15(18)14-8-12(3)17(4)16-14/h5-8,15,18H,9H2,1-4H3
InChIKeyINQLMDYYFPKVHU-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220168
2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220171
1-(1,5-dimethylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 114220139
3-(1,5-dimethylpyrazol-3-yl)-3-hydroxypropanenitrile
CID 131490844
2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373598
2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol
CID 62901869
2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164033
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
[2-(3,4-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)ethyl]hydrazine
CID 112742832
2-(3,4-dimethylphenyl)-1-(4-iodophenyl)ethanol
CID 63519463
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
4-[2-(chloromethyl)-3-methylbutyl]-1,2-dimethylbenzene
CID 66035218

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol (CID 114220124) is 2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol is Cc1ccc(CC(O)c2cc(C)n(C)n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is INQLMDYYFPKVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-5-6-13(7-11(10)2)9-15(18)14-8-12(3)17(4)16-14/h5-8,15,18H,9H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol?
2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 244.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114220124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).