2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol

C12H13BrN2OS — CID 66144643

IUPAC2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)CSc1ccccc1Br
InChIInChI=1S/C12H13BrN2OS/c1-15-10(6-7-14-15)11(16)8-17-12-5-3-2-4-9(12)13/h2-7,11,16H,8H2,1H3
InChIKeyONNVSQDAGKYSTO-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.01
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol

2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 66144643) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID66144643
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)CSc1ccccc1Br
InChIInChI=1S/C12H13BrN2OS/c1-15-10(6-7-14-15)11(16)8-17-12-5-3-2-4-9(12)13/h2-7,11,16H,8H2,1H3
InChIKeyONNVSQDAGKYSTO-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-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

1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol
CID 65134458
2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol
CID 65131088
2-(2-bromophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 66142695
2-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66144447
1-(3-bromofuran-2-yl)-2-(2-bromophenyl)sulfanylethanol
CID 66142888
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
[2-(2-methylphenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105237318
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
CID 66145607
1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol
CID 66144443
3-amino-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 82595670
2-(2-bromophenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114688242
2-(2-bromophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanol
CID 104738041

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol (CID 66144643) is 2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol is Cn1nccc1C(O)CSc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is ONNVSQDAGKYSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-15-10(6-7-14-15)11(16)8-17-12-5-3-2-4-9(12)13/h2-7,11,16H,8H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol?
2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 313.22 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 66144643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).