2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol

C9H10BrN3OS — CID 43348910

IUPAC2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2ccc(Br)s2)nn1CCO
InChIInChI=1S/C9H10BrN3OS/c10-8-2-1-7(15-8)6-5-9(11)13(12-6)3-4-14/h1-2,5,14H,3-4,11H2
InChIKeyVTOJVWCPQCMVTK-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.95
Rot. Bonds3

About 2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol

2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol (PubChem CID 43348910) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol
PubChem CID43348910
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2ccc(Br)s2)nn1CCO
InChIInChI=1S/C9H10BrN3OS/c10-8-2-1-7(15-8)6-5-9(11)13(12-6)3-4-14/h1-2,5,14H,3-4,11H2
InChIKeyVTOJVWCPQCMVTK-UHFFFAOYSA-N
XLogP1.95
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol (CID 43348910) is 2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol is Nc1cc(-c2ccc(Br)s2)nn1CCO.
What is the InChIKey of 2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol?
The InChIKey is VTOJVWCPQCMVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c10-8-2-1-7(15-8)6-5-9(11)13(12-6)3-4-14/h1-2,5,14H,3-4,11H2.
What are the key properties of 2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol has a molecular weight of 288.17 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 43348910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).