1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol

C11H13BrN2OS — CID 105127674

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol
SMILESCCn1ncc(Br)c1C(O)Cc1ccsc1
InChIInChI=1S/C11H13BrN2OS/c1-2-14-11(9(12)6-13-14)10(15)5-8-3-4-16-7-8/h3-4,6-7,10,15H,2,5H2,1H3
InChIKeyLAKJHGQJDLBBEU-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.00
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol

1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol (PubChem CID 105127674) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol
PubChem CID105127674
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol
SMILESCCn1ncc(Br)c1C(O)Cc1ccsc1
InChIInChI=1S/C11H13BrN2OS/c1-2-14-11(9(12)6-13-14)10(15)5-8-3-4-16-7-8/h3-4,6-7,10,15H,2,5H2,1H3
InChIKeyLAKJHGQJDLBBEU-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 114644859
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 114643089
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol
CID 105127306
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
CID 114645175
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105183136
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089761
1-(4-bromo-1-ethylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105127584
1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol
CID 114637053
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960
1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol
CID 105109200

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol (CID 105127674) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol is CCn1ncc(Br)c1C(O)Cc1ccsc1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol?
The InChIKey is LAKJHGQJDLBBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-2-14-11(9(12)6-13-14)10(15)5-8-3-4-16-7-8/h3-4,6-7,10,15H,2,5H2,1H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol has a molecular weight of 301.21 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 105127674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).