2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol

C7H13N3OS — CID 63316468

IUPAC2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol
SMILESNc1ccn(CCSCCO)n1
InChIInChI=1S/C7H13N3OS/c8-7-1-2-10(9-7)3-5-12-6-4-11/h1-2,11H,3-6H2,(H2,8,9)
InChIKeyAOSNQFPLSHJUPW-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.19
Rot. Bonds5

About 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol

2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol (PubChem CID 63316468) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol
PubChem CID63316468
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol
SMILESNc1ccn(CCSCCO)n1
InChIInChI=1S/C7H13N3OS/c8-7-1-2-10(9-7)3-5-12-6-4-11/h1-2,11H,3-6H2,(H2,8,9)
InChIKeyAOSNQFPLSHJUPW-UHFFFAOYSA-N
XLogP0.19
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol (CID 63316468) is 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol is Nc1ccn(CCSCCO)n1.
What is the InChIKey of 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol?
The InChIKey is AOSNQFPLSHJUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c8-7-1-2-10(9-7)3-5-12-6-4-11/h1-2,11H,3-6H2,(H2,8,9).
What are the key properties of 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol?
2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol has a molecular weight of 187.27 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol is sourced from PubChem (CID 63316468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).