5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole

C9H7ClF2N2S — CID 121211186

IUPAC5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole
SMILESFC(F)n1nc(-c2ccsc2)cc1CCl
InChIInChI=1S/C9H7ClF2N2S/c10-4-7-3-8(6-1-2-15-5-6)13-14(7)9(11)12/h1-3,5,9H,4H2
InChIKeySIOHIZASOCKHLF-UHFFFAOYSA-N
MW248.69 g/mol
LogP3.75
Rot. Bonds3

About 5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole

5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole (PubChem CID 121211186) has the molecular formula C9H7ClF2N2S and a molecular weight of 248.69 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole
PubChem CID121211186
Molecular FormulaC9H7ClF2N2S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole
SMILESFC(F)n1nc(-c2ccsc2)cc1CCl
InChIInChI=1S/C9H7ClF2N2S/c10-4-7-3-8(6-1-2-15-5-6)13-14(7)9(11)12/h1-3,5,9H,4H2
InChIKeySIOHIZASOCKHLF-UHFFFAOYSA-N
XLogP3.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole?
The IUPAC name of 5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole (CID 121211186) is 5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole.
What is the SMILES notation for 5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole?
The canonical SMILES for 5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole is FC(F)n1nc(-c2ccsc2)cc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole?
The InChIKey is SIOHIZASOCKHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2S/c10-4-7-3-8(6-1-2-15-5-6)13-14(7)9(11)12/h1-3,5,9H,4H2.
What are the key properties of 5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole?
5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole has a molecular weight of 248.69 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole is sourced from PubChem (CID 121211186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).