4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole

C13H14Cl2N2 — CID 55038842

IUPAC4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole
SMILESCc1cc(-n2nc(C)c(Cl)c2C)ccc1CCl
InChIInChI=1S/C13H14Cl2N2/c1-8-6-12(5-4-11(8)7-14)17-10(3)13(15)9(2)16-17/h4-6H,7H2,1-3H3
InChIKeyKWFAARZIXNPFLE-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.19
Rot. Bonds2

About 4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole

4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole (PubChem CID 55038842) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole
PubChem CID55038842
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole
SMILESCc1cc(-n2nc(C)c(Cl)c2C)ccc1CCl
InChIInChI=1S/C13H14Cl2N2/c1-8-6-12(5-4-11(8)7-14)17-10(3)13(15)9(2)16-17/h4-6H,7H2,1-3H3
InChIKeyKWFAARZIXNPFLE-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.19
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

1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 63816766
4-chloro-1-[4-chloro-2-(chloromethyl)phenyl]-3,5-dimethylpyrazole
CID 114846877
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62130684
2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
CID 63815380
1-chloro-3-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)anilino]propan-2-ol
CID 168639799
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
CID 79466814
2-chloro-N'-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanimidamide
CID 169368579
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 62130370
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63814999
4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 62129845
4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole
CID 82088582
5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole
CID 43156598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole?
The IUPAC name of 4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole (CID 55038842) is 4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole?
The canonical SMILES for 4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole is Cc1cc(-n2nc(C)c(Cl)c2C)ccc1CCl.
What is the InChIKey of 4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole?
The InChIKey is KWFAARZIXNPFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-8-6-12(5-4-11(8)7-14)17-10(3)13(15)9(2)16-17/h4-6H,7H2,1-3H3.
What are the key properties of 4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole?
4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole has a molecular weight of 269.18 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 55038842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).