2-hydroxyethyl pyrazol-1-yl sulfate

C5H8N2O5S — CID 87985497

IUPAC2-hydroxyethyl pyrazol-1-yl sulfate
SMILESO=S(=O)(OCCO)On1cccn1
InChIInChI=1S/C5H8N2O5S/c8-4-5-11-13(9,10)12-7-3-1-2-6-7/h1-3,8H,4-5H2
InChIKeyBPENNYXVSCUCIG-UHFFFAOYSA-N
MW208.19 g/mol
LogP-1.43
Rot. Bonds5

About 2-hydroxyethyl pyrazol-1-yl sulfate

2-hydroxyethyl pyrazol-1-yl sulfate (PubChem CID 87985497) has the molecular formula C5H8N2O5S and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-hydroxyethyl pyrazol-1-yl sulfate.

Molecular Properties

Compound Name2-hydroxyethyl pyrazol-1-yl sulfate
PubChem CID87985497
Molecular FormulaC5H8N2O5S
Molecular Weight208.19 g/mol
Exact Mass208.02
IUPAC Name2-hydroxyethyl pyrazol-1-yl sulfate
SMILESO=S(=O)(OCCO)On1cccn1
InChIInChI=1S/C5H8N2O5S/c8-4-5-11-13(9,10)12-7-3-1-2-6-7/h1-3,8H,4-5H2
InChIKeyBPENNYXVSCUCIG-UHFFFAOYSA-N
XLogP-1.43
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl pyrazol-1-yl sulfate?
The IUPAC name of 2-hydroxyethyl pyrazol-1-yl sulfate (CID 87985497) is 2-hydroxyethyl pyrazol-1-yl sulfate.
What is the SMILES notation for 2-hydroxyethyl pyrazol-1-yl sulfate?
The canonical SMILES for 2-hydroxyethyl pyrazol-1-yl sulfate is O=S(=O)(OCCO)On1cccn1.
What is the InChIKey of 2-hydroxyethyl pyrazol-1-yl sulfate?
The InChIKey is BPENNYXVSCUCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O5S/c8-4-5-11-13(9,10)12-7-3-1-2-6-7/h1-3,8H,4-5H2.
What are the key properties of 2-hydroxyethyl pyrazol-1-yl sulfate?
2-hydroxyethyl pyrazol-1-yl sulfate has a molecular weight of 208.19 g/mol, XLogP of -1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl pyrazol-1-yl sulfate is sourced from PubChem (CID 87985497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).