1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine

C10H13N3OS — CID 63316253

IUPAC1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOCc2cccs2)n1
InChIInChI=1S/C10H13N3OS/c11-10-3-4-13(12-10)5-6-14-8-9-2-1-7-15-9/h1-4,7H,5-6,8H2,(H2,11,12)
InChIKeyUFAYLHJSWUBYCZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.74
Rot. Bonds5

About 1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine

1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine (PubChem CID 63316253) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine
PubChem CID63316253
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOCc2cccs2)n1
InChIInChI=1S/C10H13N3OS/c11-10-3-4-13(12-10)5-6-14-8-9-2-1-7-15-9/h1-4,7H,5-6,8H2,(H2,11,12)
InChIKeyUFAYLHJSWUBYCZ-UHFFFAOYSA-N
XLogP1.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
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 1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine (CID 63316253) is 1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine is Nc1ccn(CCOCc2cccs2)n1.
What is the InChIKey of 1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine?
The InChIKey is UFAYLHJSWUBYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c11-10-3-4-13(12-10)5-6-14-8-9-2-1-7-15-9/h1-4,7H,5-6,8H2,(H2,11,12).
What are the key properties of 1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine?
1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine has a molecular weight of 223.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiophen-2-ylmethoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).