1-(2-hydroxyethyl)pyrazole-3-sulfinamide

C5H9N3O2S — CID 138532553

IUPAC1-(2-hydroxyethyl)pyrazole-3-sulfinamide
SMILESNS(=O)c1ccn(CCO)n1
InChIInChI=1S/C5H9N3O2S/c6-11(10)5-1-2-8(7-5)3-4-9/h1-2,9H,3-4,6H2
InChIKeyIKNWNJMTPCFEKK-UHFFFAOYSA-N
MW175.21 g/mol
LogP-1.14
Rot. Bonds3

About 1-(2-hydroxyethyl)pyrazole-3-sulfinamide

1-(2-hydroxyethyl)pyrazole-3-sulfinamide (PubChem CID 138532553) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)pyrazole-3-sulfinamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)pyrazole-3-sulfinamide
PubChem CID138532553
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name1-(2-hydroxyethyl)pyrazole-3-sulfinamide
SMILESNS(=O)c1ccn(CCO)n1
InChIInChI=1S/C5H9N3O2S/c6-11(10)5-1-2-8(7-5)3-4-9/h1-2,9H,3-4,6H2
InChIKeyIKNWNJMTPCFEKK-UHFFFAOYSA-N
XLogP-1.14
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)pyrazole-3-sulfinamide?
The IUPAC name of 1-(2-hydroxyethyl)pyrazole-3-sulfinamide (CID 138532553) is 1-(2-hydroxyethyl)pyrazole-3-sulfinamide.
What is the SMILES notation for 1-(2-hydroxyethyl)pyrazole-3-sulfinamide?
The canonical SMILES for 1-(2-hydroxyethyl)pyrazole-3-sulfinamide is NS(=O)c1ccn(CCO)n1.
What is the InChIKey of 1-(2-hydroxyethyl)pyrazole-3-sulfinamide?
The InChIKey is IKNWNJMTPCFEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c6-11(10)5-1-2-8(7-5)3-4-9/h1-2,9H,3-4,6H2.
What are the key properties of 1-(2-hydroxyethyl)pyrazole-3-sulfinamide?
1-(2-hydroxyethyl)pyrazole-3-sulfinamide has a molecular weight of 175.21 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)pyrazole-3-sulfinamide is sourced from PubChem (CID 138532553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).