1-[3-(chloromethyl)-5-fluorophenyl]pyrazole

C10H8ClFN2 — CID 106530554

IUPAC1-[3-(chloromethyl)-5-fluorophenyl]pyrazole
SMILESFc1cc(CCl)cc(-n2cccn2)c1
InChIInChI=1S/C10H8ClFN2/c11-7-8-4-9(12)6-10(5-8)14-3-1-2-13-14/h1-6H,7H2
InChIKeyWGTRZLAFWHCAON-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.75
Rot. Bonds2

About 1-[3-(chloromethyl)-5-fluorophenyl]pyrazole

1-[3-(chloromethyl)-5-fluorophenyl]pyrazole (PubChem CID 106530554) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 1-[3-(chloromethyl)-5-fluorophenyl]pyrazole.

Molecular Properties

Compound Name1-[3-(chloromethyl)-5-fluorophenyl]pyrazole
PubChem CID106530554
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name1-[3-(chloromethyl)-5-fluorophenyl]pyrazole
SMILESFc1cc(CCl)cc(-n2cccn2)c1
InChIInChI=1S/C10H8ClFN2/c11-7-8-4-9(12)6-10(5-8)14-3-1-2-13-14/h1-6H,7H2
InChIKeyWGTRZLAFWHCAON-UHFFFAOYSA-N
XLogP2.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)-5-fluorophenyl]pyrazole?
The IUPAC name of 1-[3-(chloromethyl)-5-fluorophenyl]pyrazole (CID 106530554) is 1-[3-(chloromethyl)-5-fluorophenyl]pyrazole.
What is the SMILES notation for 1-[3-(chloromethyl)-5-fluorophenyl]pyrazole?
The canonical SMILES for 1-[3-(chloromethyl)-5-fluorophenyl]pyrazole is Fc1cc(CCl)cc(-n2cccn2)c1.
What is the InChIKey of 1-[3-(chloromethyl)-5-fluorophenyl]pyrazole?
The InChIKey is WGTRZLAFWHCAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c11-7-8-4-9(12)6-10(5-8)14-3-1-2-13-14/h1-6H,7H2.
What are the key properties of 1-[3-(chloromethyl)-5-fluorophenyl]pyrazole?
1-[3-(chloromethyl)-5-fluorophenyl]pyrazole has a molecular weight of 210.64 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)-5-fluorophenyl]pyrazole is sourced from PubChem (CID 106530554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).