2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol

C10H11BrN2OS — CID 65195261

IUPAC2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(C(O)Cc2ccc(Br)s2)n1
InChIInChI=1S/C10H11BrN2OS/c1-13-5-4-8(12-13)9(14)6-7-2-3-10(11)15-7/h2-5,9,14H,6H2,1H3
InChIKeyNUIZEFNIZUNLMB-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.52
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol

2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol (PubChem CID 65195261) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
PubChem CID65195261
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(C(O)Cc2ccc(Br)s2)n1
InChIInChI=1S/C10H11BrN2OS/c1-13-5-4-8(12-13)9(14)6-7-2-3-10(11)15-7/h2-5,9,14H,6H2,1H3
InChIKeyNUIZEFNIZUNLMB-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol (CID 65195261) is 2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol is Cn1ccc(C(O)Cc2ccc(Br)s2)n1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is NUIZEFNIZUNLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-13-5-4-8(12-13)9(14)6-7-2-3-10(11)15-7/h2-5,9,14H,6H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol?
2-(5-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 287.18 g/mol, XLogP of 2.52, 3 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-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 65195261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).