[3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine

C10H13N3OS — CID 39202966

IUPAC[3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine
SMILESNCc1sccc1OCCn1cccn1
InChIInChI=1S/C10H13N3OS/c11-8-10-9(2-7-15-10)14-6-5-13-4-1-3-12-13/h1-4,7H,5-6,8,11H2
InChIKeyIWCFPASXVCPRDQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.48
Rot. Bonds5

About [3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine

[3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine (PubChem CID 39202966) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is [3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine
PubChem CID39202966
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name[3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine
SMILESNCc1sccc1OCCn1cccn1
InChIInChI=1S/C10H13N3OS/c11-8-10-9(2-7-15-10)14-6-5-13-4-1-3-12-13/h1-4,7H,5-6,8,11H2
InChIKeyIWCFPASXVCPRDQ-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine?
The IUPAC name of [3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine (CID 39202966) is [3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine.
What is the SMILES notation for [3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine?
The canonical SMILES for [3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine is NCc1sccc1OCCn1cccn1.
What is the InChIKey of [3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine?
The InChIKey is IWCFPASXVCPRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c11-8-10-9(2-7-15-10)14-6-5-13-4-1-3-12-13/h1-4,7H,5-6,8,11H2.
What are the key properties of [3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine?
[3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine has a molecular weight of 223.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-pyrazol-1-ylethoxy)thiophen-2-yl]methanamine is sourced from PubChem (CID 39202966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).