1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole

C12H9Cl2F3N2 — CID 2741092

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C12H9Cl2F3N2/c1-6-3-7(2)19(18-6)11-9(13)4-8(5-10(11)14)12(15,16)17/h3-5H,1-2H3
InChIKeyNWVMGWMIQCRKNB-UHFFFAOYSA-N
MW309.12 g/mol
LogP4.81
Rot. Bonds1

About 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole (PubChem CID 2741092) has the molecular formula C12H9Cl2F3N2 and a molecular weight of 309.12 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole
PubChem CID2741092
Molecular FormulaC12H9Cl2F3N2
Molecular Weight309.12 g/mol
Exact Mass308.01
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C12H9Cl2F3N2/c1-6-3-7(2)19(18-6)11-9(13)4-8(5-10(11)14)12(15,16)17/h3-5H,1-2H3
InChIKeyNWVMGWMIQCRKNB-UHFFFAOYSA-N
XLogP4.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole (CID 2741092) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole is Cc1cc(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole?
The InChIKey is NWVMGWMIQCRKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N2/c1-6-3-7(2)19(18-6)11-9(13)4-8(5-10(11)14)12(15,16)17/h3-5H,1-2H3.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole has a molecular weight of 309.12 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 2741092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).