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

C12H13BrN2O — CID 63962622

IUPAC1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(C)(O)c1cccc(Br)c1
InChIInChI=1S/C12H13BrN2O/c1-12(16,11-6-7-14-15(11)2)9-4-3-5-10(13)8-9/h3-8,16H,1-2H3
InChIKeyXKRBJRXMEHLICK-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.44
Rot. Bonds2

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

1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 63962622) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID63962622
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(C)(O)c1cccc(Br)c1
InChIInChI=1S/C12H13BrN2O/c1-12(16,11-6-7-14-15(11)2)9-4-3-5-10(13)8-9/h3-8,16H,1-2H3
InChIKeyXKRBJRXMEHLICK-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 63975243
1-(3-bromophenyl)-1-(3-methyltriazol-4-yl)ethanol
CID 114684581
1-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 63963688
1-(3-bromophenyl)-1-pyridin-2-ylethanol
CID 163303407
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
1-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802958
1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 55187138
3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile
CID 115481322
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
1-amino-2-(2-methylpyrazol-3-yl)propan-2-ol
CID 66039354
1-(3-bromophenyl)-1-(4-propylphenyl)ethanol
CID 63406796
5-(2-iodopropan-2-yl)-1-methylpyrazole
CID 129132491

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol (CID 63962622) is 1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol is Cn1nccc1C(C)(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is XKRBJRXMEHLICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-12(16,11-6-7-14-15(11)2)9-4-3-5-10(13)8-9/h3-8,16H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 281.15 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 63962622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).