2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol

C15H13BrN2OS — CID 65150483

IUPAC2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H13BrN2OS/c16-15-7-6-13(20-15)8-14(19)11-9-17-18(10-11)12-4-2-1-3-5-12/h1-7,9-10,14,19H,8H2
InChIKeyQIYXJPCFWIIBRT-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.97
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol

2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol (PubChem CID 65150483) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol
PubChem CID65150483
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol
SMILESOC(Cc1ccc(Br)s1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H13BrN2OS/c16-15-7-6-13(20-15)8-14(19)11-9-17-18(10-11)12-4-2-1-3-5-12/h1-7,9-10,14,19H,8H2
InChIKeyQIYXJPCFWIIBRT-UHFFFAOYSA-N
XLogP3.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 61089136
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol
CID 63895964
1-(3-bromophenyl)-2-(5-bromothiophen-2-yl)ethanol
CID 62606111
(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79996999
2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol
CID 115524905
(5-ethylfuran-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79096206
4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol
CID 103028464
(E)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55414593
4-[bromo-(4-bromophenyl)methyl]-1-phenylpyrazole
CID 63441319
1-(1-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103210161
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclopentyl)ethanol
CID 63414129

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol (CID 65150483) is 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol is OC(Cc1ccc(Br)s1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol?
The InChIKey is QIYXJPCFWIIBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c16-15-7-6-13(20-15)8-14(19)11-9-17-18(10-11)12-4-2-1-3-5-12/h1-7,9-10,14,19H,8H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol?
2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol has a molecular weight of 349.25 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol is sourced from PubChem (CID 65150483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).