4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole

C12H11Cl3N2O — CID 28964844

IUPAC4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1CCl
InChIInChI=1S/C12H11Cl3N2O/c1-7-9(6-13)12(17(2)16-7)18-11-4-3-8(14)5-10(11)15/h3-5H,6H2,1-2H3
InChIKeyOZHKOZPCHWBIRQ-UHFFFAOYSA-N
MW305.59 g/mol
LogP4.57
Rot. Bonds3

About 4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole

4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole (PubChem CID 28964844) has the molecular formula C12H11Cl3N2O and a molecular weight of 305.59 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole
PubChem CID28964844
Molecular FormulaC12H11Cl3N2O
Molecular Weight305.59 g/mol
Exact Mass303.99
IUPAC Name4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1CCl
InChIInChI=1S/C12H11Cl3N2O/c1-7-9(6-13)12(17(2)16-7)18-11-4-3-8(14)5-10(11)15/h3-5H,6H2,1-2H3
InChIKeyOZHKOZPCHWBIRQ-UHFFFAOYSA-N
XLogP4.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.59
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1,3-dimethyl-5-(2,4,5-trichlorophenoxy)pyrazole
CID 28964659
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283267
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43283266
4-(chloromethyl)-5-(4,5-dichloro-2-nitrophenoxy)-1,3-dimethylpyrazole
CID 107500426
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methylidene]hydroxylamine
CID 171985291
1-[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54880706
4-(chloromethyl)-5-(2-methoxy-5-nitrophenoxy)-1,3-dimethylpyrazole
CID 61031939
N-[[5-(4-bromo-2-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43283559
4-(chloromethyl)-1,3-dimethyl-5-(4-propoxyphenoxy)pyrazole
CID 28971291
4-[(2-chlorophenyl)methylsulfanylmethyl]-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole
CID 3528441
5-(2-chloro-4-methylphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 55243677
[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 63269563

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole?
The IUPAC name of 4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole (CID 28964844) is 4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole?
The canonical SMILES for 4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole is Cc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1CCl.
What is the InChIKey of 4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole?
The InChIKey is OZHKOZPCHWBIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2O/c1-7-9(6-13)12(17(2)16-7)18-11-4-3-8(14)5-10(11)15/h3-5H,6H2,1-2H3.
What are the key properties of 4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole?
4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole has a molecular weight of 305.59 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole is sourced from PubChem (CID 28964844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).