3-(2,6-dichlorophenyl)-1-methylpyrazole

C10H8Cl2N2 — CID 173078305

IUPAC3-(2,6-dichlorophenyl)-1-methylpyrazole
SMILESCn1ccc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H8Cl2N2/c1-14-6-5-9(13-14)10-7(11)3-2-4-8(10)12/h2-6H,1H3
InChIKeyLIRNADAMTSHXIG-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.39
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-1-methylpyrazole

3-(2,6-dichlorophenyl)-1-methylpyrazole (PubChem CID 173078305) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-methylpyrazole
PubChem CID173078305
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name3-(2,6-dichlorophenyl)-1-methylpyrazole
SMILESCn1ccc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H8Cl2N2/c1-14-6-5-9(13-14)10-7(11)3-2-4-8(10)12/h2-6H,1H3
InChIKeyLIRNADAMTSHXIG-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1-methylpyrazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-methylpyrazole (CID 173078305) is 3-(2,6-dichlorophenyl)-1-methylpyrazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-methylpyrazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-methylpyrazole is Cn1ccc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-methylpyrazole?
The InChIKey is LIRNADAMTSHXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c1-14-6-5-9(13-14)10-7(11)3-2-4-8(10)12/h2-6H,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-1-methylpyrazole?
3-(2,6-dichlorophenyl)-1-methylpyrazole has a molecular weight of 227.09 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1-methylpyrazole is sourced from PubChem (CID 173078305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).