3-(chloromethyl)-1-(4-fluorophenyl)pyrazole

C10H8ClFN2 — CID 54595586

IUPAC3-(chloromethyl)-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2ccc(CCl)n2)cc1
InChIInChI=1S/C10H8ClFN2/c11-7-9-5-6-14(13-9)10-3-1-8(12)2-4-10/h1-6H,7H2
InChIKeyAYSJFTYZJXSDOW-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.75
Rot. Bonds2

About 3-(chloromethyl)-1-(4-fluorophenyl)pyrazole

3-(chloromethyl)-1-(4-fluorophenyl)pyrazole (PubChem CID 54595586) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name3-(chloromethyl)-1-(4-fluorophenyl)pyrazole
PubChem CID54595586
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name3-(chloromethyl)-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2ccc(CCl)n2)cc1
InChIInChI=1S/C10H8ClFN2/c11-7-9-5-6-14(13-9)10-3-1-8(12)2-4-10/h1-6H,7H2
InChIKeyAYSJFTYZJXSDOW-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 3-(chloromethyl)-1-(4-fluorophenyl)pyrazole?
The IUPAC name of 3-(chloromethyl)-1-(4-fluorophenyl)pyrazole (CID 54595586) is 3-(chloromethyl)-1-(4-fluorophenyl)pyrazole.
What is the SMILES notation for 3-(chloromethyl)-1-(4-fluorophenyl)pyrazole?
The canonical SMILES for 3-(chloromethyl)-1-(4-fluorophenyl)pyrazole is Fc1ccc(-n2ccc(CCl)n2)cc1.
What is the InChIKey of 3-(chloromethyl)-1-(4-fluorophenyl)pyrazole?
The InChIKey is AYSJFTYZJXSDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c11-7-9-5-6-14(13-9)10-3-1-8(12)2-4-10/h1-6H,7H2.
What are the key properties of 3-(chloromethyl)-1-(4-fluorophenyl)pyrazole?
3-(chloromethyl)-1-(4-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 3-(chloromethyl)-1-(4-fluorophenyl)pyrazole is sourced from PubChem (CID 54595586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).