5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole

C11H10Cl2N2 — CID 66023026

IUPAC5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1C
InChIInChI=1S/C11H10Cl2N2/c1-7-8(2)14-15(11(7)13)10-6-4-3-5-9(10)12/h3-6H,1-2H3
InChIKeyYSLSKMYPFWPCNY-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.80
Rot. Bonds1

About 5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole

5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole (PubChem CID 66023026) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole
PubChem CID66023026
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1C
InChIInChI=1S/C11H10Cl2N2/c1-7-8(2)14-15(11(7)13)10-6-4-3-5-9(10)12/h3-6H,1-2H3
InChIKeyYSLSKMYPFWPCNY-UHFFFAOYSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole?
The IUPAC name of 5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole (CID 66023026) is 5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole.
What is the SMILES notation for 5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole?
The canonical SMILES for 5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole is Cc1nn(-c2ccccc2Cl)c(Cl)c1C.
What is the InChIKey of 5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole?
The InChIKey is YSLSKMYPFWPCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c1-7-8(2)14-15(11(7)13)10-6-4-3-5-9(10)12/h3-6H,1-2H3.
What are the key properties of 5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole?
5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole has a molecular weight of 241.12 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole is sourced from PubChem (CID 66023026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).