3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole

C11H9Cl3N2 — CID 729618

IUPAC3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole
SMILESCc1cc(C)n(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl3N2/c1-6-3-7(2)16(15-6)11-9(13)4-8(12)5-10(11)14/h3-5H,1-2H3
InChIKeyMCTFONWOEFQLCV-UHFFFAOYSA-N
MW275.57 g/mol
LogP4.45
Rot. Bonds1

About 3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole

3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole (PubChem CID 729618) has the molecular formula C11H9Cl3N2 and a molecular weight of 275.57 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole
PubChem CID729618
Molecular FormulaC11H9Cl3N2
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole
SMILESCc1cc(C)n(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl3N2/c1-6-3-7(2)16(15-6)11-9(13)4-8(12)5-10(11)14/h3-5H,1-2H3
InChIKeyMCTFONWOEFQLCV-UHFFFAOYSA-N
XLogP4.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole (CID 729618) is 3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole is Cc1cc(C)n(-c2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of 3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole?
The InChIKey is MCTFONWOEFQLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2/c1-6-3-7(2)16(15-6)11-9(13)4-8(12)5-10(11)14/h3-5H,1-2H3.
What are the key properties of 3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole?
3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole has a molecular weight of 275.57 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole is sourced from PubChem (CID 729618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).