5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole

C11H9Cl2FN2 — CID 43156592

IUPAC5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
SMILESCc1nn(-c2ccccc2F)c(Cl)c1CCl
InChIInChI=1S/C11H9Cl2FN2/c1-7-8(6-12)11(13)16(15-7)10-5-3-2-4-9(10)14/h2-5H,6H2,1H3
InChIKeyFHIBONCZWNRIGN-UHFFFAOYSA-N
MW259.11 g/mol
LogP3.71
Rot. Bonds2

About 5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole

5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole (PubChem CID 43156592) has the molecular formula C11H9Cl2FN2 and a molecular weight of 259.11 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
PubChem CID43156592
Molecular FormulaC11H9Cl2FN2
Molecular Weight259.11 g/mol
Exact Mass258.01
IUPAC Name5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
SMILESCc1nn(-c2ccccc2F)c(Cl)c1CCl
InChIInChI=1S/C11H9Cl2FN2/c1-7-8(6-12)11(13)16(15-7)10-5-3-2-4-9(10)14/h2-5H,6H2,1H3
InChIKeyFHIBONCZWNRIGN-UHFFFAOYSA-N
XLogP3.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 53.71
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

5-chloro-4-(chloromethyl)-1-(2-methoxyphenyl)-3-methylpyrazole
CID 63033333
5-chloro-4-(chloromethyl)-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
CID 63858394
[5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333643
3-(chloromethyl)-1-(2-fluorophenyl)-5-methylpyrazole
CID 82128124
1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 66023034
5-chloro-4-(chloromethyl)-1-(2-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 43333748
3-chloro-1-(2-fluorophenyl)-5-methylpyrazole
CID 59022674
5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole
CID 43156598
methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 61381036
4-(chloromethyl)-3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82091044
3-tert-butyl-5-chloro-4-(chloromethyl)-1-(2,4-difluorophenyl)pyrazole
CID 43333706
5-chloro-4-(chloromethyl)-1-(2,4-difluorophenyl)-3-propan-2-ylpyrazole
CID 43156565

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole?
The IUPAC name of 5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole (CID 43156592) is 5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole?
The canonical SMILES for 5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole is Cc1nn(-c2ccccc2F)c(Cl)c1CCl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole?
The InChIKey is FHIBONCZWNRIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2/c1-7-8(6-12)11(13)16(15-7)10-5-3-2-4-9(10)14/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole?
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole has a molecular weight of 259.11 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole is sourced from PubChem (CID 43156592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).