5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole

C11H6Cl3F3N2 — CID 43156610

IUPAC5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1nn(-c2cccc(Cl)c2)c(Cl)c1CCl
InChIInChI=1S/C11H6Cl3F3N2/c12-5-8-9(11(15,16)17)18-19(10(8)14)7-3-1-2-6(13)4-7/h1-4H,5H2
InChIKeyRGDQBIDTEBFWCM-UHFFFAOYSA-N
MW329.54 g/mol
LogP4.94
Rot. Bonds2

About 5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole

5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 43156610) has the molecular formula C11H6Cl3F3N2 and a molecular weight of 329.54 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole
PubChem CID43156610
Molecular FormulaC11H6Cl3F3N2
Molecular Weight329.54 g/mol
Exact Mass327.95
IUPAC Name5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1nn(-c2cccc(Cl)c2)c(Cl)c1CCl
InChIInChI=1S/C11H6Cl3F3N2/c12-5-8-9(11(15,16)17)18-19(10(8)14)7-3-1-2-6(13)4-7/h1-4H,5H2
InChIKeyRGDQBIDTEBFWCM-UHFFFAOYSA-N
XLogP4.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.54
LogP ≤ 54.94
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-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 114798549
5-chloro-4-(chloromethyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 63173164
5-chloro-4-(chloromethyl)-1-(2-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 43333748
5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697479
[5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 43333653
[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
CID 43156530
1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde
CID 139675375
5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982
5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 57364445
3-tert-butyl-5-chloro-4-(chloromethyl)-1-(3,4,5-trifluorophenyl)pyrazole
CID 79204459
[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 3-chlorobenzoate
CID 1477045
1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42817677

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole (CID 43156610) is 5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1nn(-c2cccc(Cl)c2)c(Cl)c1CCl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is RGDQBIDTEBFWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3F3N2/c12-5-8-9(11(15,16)17)18-19(10(8)14)7-3-1-2-6(13)4-7/h1-4H,5H2.
What are the key properties of 5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole?
5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 329.54 g/mol, XLogP of 4.94, 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-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 43156610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).