1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol

C16H21BrN2O2 — CID 114633798

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol
SMILESCOCCn1ncc(Br)c1C(C)(O)c1cc(C)ccc1C
InChIInChI=1S/C16H21BrN2O2/c1-11-5-6-12(2)13(9-11)16(3,20)15-14(17)10-18-19(15)7-8-21-4/h5-6,9-10,20H,7-8H2,1-4H3
InChIKeyQOQUMHDLMRZZLZ-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.16
Rot. Bonds5

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol (PubChem CID 114633798) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol
PubChem CID114633798
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol
SMILESCOCCn1ncc(Br)c1C(C)(O)c1cc(C)ccc1C
InChIInChI=1S/C16H21BrN2O2/c1-11-5-6-12(2)13(9-11)16(3,20)15-14(17)10-18-19(15)7-8-21-4/h5-6,9-10,20H,7-8H2,1-4H3
InChIKeyQOQUMHDLMRZZLZ-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)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

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-methylphenyl)ethanol
CID 114633334
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 114633531
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-methoxyphenyl)ethanol
CID 114633518
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,5-dimethylphenyl)methanone
CID 115805999
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methylphenyl)ethanol
CID 114633352
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,4-dimethylphenyl)ethanol
CID 114633788
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,5-dimethylphenyl)ethanol
CID 115835849
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-bromo-4-methylphenyl)methanol
CID 114637670
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105043001
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol (CID 114633798) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol is COCCn1ncc(Br)c1C(C)(O)c1cc(C)ccc1C.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol?
The InChIKey is QOQUMHDLMRZZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-11-5-6-12(2)13(9-11)16(3,20)15-14(17)10-18-19(15)7-8-21-4/h5-6,9-10,20H,7-8H2,1-4H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol has a molecular weight of 353.26 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 114633798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).