2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol

C18H26N2O — CID 115990490

IUPAC2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
SMILESCCc1nn(C)cc1C(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-6-16-15(12-20(5)19-16)17(21)11-13-7-9-14(10-8-13)18(2,3)4/h7-10,12,17,21H,6,11H2,1-5H3
InChIKeyCCYNYPYQVYHBRF-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.56
Rot. Bonds4

About 2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol

2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol (PubChem CID 115990490) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
PubChem CID115990490
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
SMILESCCc1nn(C)cc1C(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-6-16-15(12-20(5)19-16)17(21)11-13-7-9-14(10-8-13)18(2,3)4/h7-10,12,17,21H,6,11H2,1-5H3
InChIKeyCCYNYPYQVYHBRF-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-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

2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 112670375
(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812253
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
2-(4-chloro-3-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 107883717
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115990545
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006766
2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanol
CID 65150147
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,4-dichlorophenyl)ethanol
CID 83090725
(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol
CID 164719582
2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115786607

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol (CID 115990490) is 2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol is CCc1nn(C)cc1C(O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol?
The InChIKey is CCYNYPYQVYHBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-16-15(12-20(5)19-16)17(21)11-13-7-9-14(10-8-13)18(2,3)4/h7-10,12,17,21H,6,11H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol?
2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol has a molecular weight of 286.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115990490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).