5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole

C12H11Cl3N2 — CID 43156598

IUPAC5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole
SMILESCc1ccc(-n2nc(C)c(CCl)c2Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N2/c1-7-3-4-9(5-11(7)14)17-12(15)10(6-13)8(2)16-17/h3-5H,6H2,1-2H3
InChIKeyZVTAYXSKXCOWFV-UHFFFAOYSA-N
MW289.59 g/mol
LogP4.53
Rot. Bonds2

About 5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole

5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole (PubChem CID 43156598) has the molecular formula C12H11Cl3N2 and a molecular weight of 289.59 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole
PubChem CID43156598
Molecular FormulaC12H11Cl3N2
Molecular Weight289.59 g/mol
Exact Mass288.00
IUPAC Name5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole
SMILESCc1ccc(-n2nc(C)c(CCl)c2Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N2/c1-7-3-4-9(5-11(7)14)17-12(15)10(6-13)8(2)16-17/h3-5H,6H2,1-2H3
InChIKeyZVTAYXSKXCOWFV-UHFFFAOYSA-N
XLogP4.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 54.53
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-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79220516
[5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 43333653
1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308035
5-chloro-4-(chloromethyl)-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
CID 63858394
5-chloro-1-(3-chloro-4-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 43328292
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
CID 43156592
[1-(3-chloro-4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 82091856
5-chloro-4-(chloromethyl)-1-(2-methoxyphenyl)-3-methylpyrazole
CID 63033333
2-[2-(3-chloro-4-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82481041
4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole
CID 55038842
1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine
CID 60866837
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56550904

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole?
The IUPAC name of 5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole (CID 43156598) is 5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole?
The canonical SMILES for 5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole is Cc1ccc(-n2nc(C)c(CCl)c2Cl)cc1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole?
The InChIKey is ZVTAYXSKXCOWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2/c1-7-3-4-9(5-11(7)14)17-12(15)10(6-13)8(2)16-17/h3-5H,6H2,1-2H3.
What are the key properties of 5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole?
5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole has a molecular weight of 289.59 g/mol, XLogP of 4.53, 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-chloro-4-methylphenyl)-3-methylpyrazole is sourced from PubChem (CID 43156598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).