5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole

C10H10FN5S — CID 121211238

IUPAC5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole
SMILES[N-]=[N+]=NCc1cc(-c2ccsc2)nn1CCF
InChIInChI=1S/C10H10FN5S/c11-2-3-16-9(6-13-15-12)5-10(14-16)8-1-4-17-7-8/h1,4-5,7H,2-3,6H2
InChIKeyHRBFEPYMMFEMLZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.39
Rot. Bonds5

About 5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole

5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole (PubChem CID 121211238) has the molecular formula C10H10FN5S and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole.

Molecular Properties

Compound Name5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole
PubChem CID121211238
Molecular FormulaC10H10FN5S
Molecular Weight251.29 g/mol
Exact Mass251.06
IUPAC Name5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole
SMILES[N-]=[N+]=NCc1cc(-c2ccsc2)nn1CCF
InChIInChI=1S/C10H10FN5S/c11-2-3-16-9(6-13-15-12)5-10(14-16)8-1-4-17-7-8/h1,4-5,7H,2-3,6H2
InChIKeyHRBFEPYMMFEMLZ-UHFFFAOYSA-N
XLogP3.39
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole?
The IUPAC name of 5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole (CID 121211238) is 5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole.
What is the SMILES notation for 5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole?
The canonical SMILES for 5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole is [N-]=[N+]=NCc1cc(-c2ccsc2)nn1CCF.
What is the InChIKey of 5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole?
The InChIKey is HRBFEPYMMFEMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5S/c11-2-3-16-9(6-13-15-12)5-10(14-16)8-1-4-17-7-8/h1,4-5,7H,2-3,6H2.
What are the key properties of 5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole?
5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole has a molecular weight of 251.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole is sourced from PubChem (CID 121211238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).