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

C9H10ClN3OS — CID 165492319

IUPAC2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2csc(Cl)c2)nn1CCO
InChIInChI=1S/C9H10ClN3OS/c10-8-3-6(5-15-8)7-4-9(11)13(12-7)1-2-14/h3-5,14H,1-2,11H2
InChIKeyNZYSSTNYBSYKPS-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.84
Rot. Bonds3

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

2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol (PubChem CID 165492319) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol
PubChem CID165492319
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2csc(Cl)c2)nn1CCO
InChIInChI=1S/C9H10ClN3OS/c10-8-3-6(5-15-8)7-4-9(11)13(12-7)1-2-14/h3-5,14H,1-2,11H2
InChIKeyNZYSSTNYBSYKPS-UHFFFAOYSA-N
XLogP1.84
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.84
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-chlorothiophen-3-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol (CID 165492319) is 2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol is Nc1cc(-c2csc(Cl)c2)nn1CCO.
What is the InChIKey of 2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol?
The InChIKey is NZYSSTNYBSYKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-8-3-6(5-15-8)7-4-9(11)13(12-7)1-2-14/h3-5,14H,1-2,11H2.
What are the key properties of 2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(5-chlorothiophen-3-yl)pyrazol-1-yl]ethanol has a molecular weight of 243.72 g/mol, XLogP of 1.84, 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-chlorothiophen-3-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 165492319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).