3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole

C11H10ClFN2 — CID 82128124

IUPAC3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole
SMILESCc1cc(CCl)nn1-c1ccccc1F
InChIInChI=1S/C11H10ClFN2/c1-8-6-9(7-12)14-15(8)11-5-3-2-4-10(11)13/h2-6H,7H2,1H3
InChIKeyQARFVFODRLAYPT-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.06
Rot. Bonds2

About 3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole

3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole (PubChem CID 82128124) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole.

Molecular Properties

Compound Name3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole
PubChem CID82128124
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole
SMILESCc1cc(CCl)nn1-c1ccccc1F
InChIInChI=1S/C11H10ClFN2/c1-8-6-9(7-12)14-15(8)11-5-3-2-4-10(11)13/h2-6H,7H2,1H3
InChIKeyQARFVFODRLAYPT-UHFFFAOYSA-N
XLogP3.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82078555
3-(chloromethyl)-1-(2-methoxyphenyl)-5-methylpyrazole
CID 82129618
3-chloro-1-(2-fluorophenyl)-5-methylpyrazole
CID 59022674
3-(chloromethyl)-5-methyl-1-phenylpyrazole
CID 82126485
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
CID 43156592
5-chloro-1-(2-fluorophenyl)-3-propylpyrazole
CID 66020942
N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110630786
1-(2-fluorophenyl)-3-propylpyrazol-5-amine
CID 82079514
[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine
CID 82091921
4-(chloromethyl)-5-ethyl-1-(2-fluorophenyl)pyrazole
CID 66438366
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82083524
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole?
The IUPAC name of 3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole (CID 82128124) is 3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole.
What is the SMILES notation for 3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole?
The canonical SMILES for 3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole is Cc1cc(CCl)nn1-c1ccccc1F.
What is the InChIKey of 3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole?
The InChIKey is QARFVFODRLAYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-8-6-9(7-12)14-15(8)11-5-3-2-4-10(11)13/h2-6H,7H2,1H3.
What are the key properties of 3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole?
3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole has a molecular weight of 224.67 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole is sourced from PubChem (CID 82128124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).