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

C14H11Cl2F3N2 — CID 21188130

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole
SMILESC=Cc1c(C)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1C
InChIInChI=1S/C14H11Cl2F3N2/c1-4-10-7(2)20-21(8(10)3)13-11(15)5-9(6-12(13)16)14(17,18)19/h4-6H,1H2,2-3H3
InChIKeyAZUWBBIVRZFIQG-UHFFFAOYSA-N
MW335.16 g/mol
LogP5.46
Rot. Bonds2

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

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole (PubChem CID 21188130) has the molecular formula C14H11Cl2F3N2 and a molecular weight of 335.16 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole
PubChem CID21188130
Molecular FormulaC14H11Cl2F3N2
Molecular Weight335.16 g/mol
Exact Mass334.03
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole
SMILESC=Cc1c(C)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1C
InChIInChI=1S/C14H11Cl2F3N2/c1-4-10-7(2)20-21(8(10)3)13-11(15)5-9(6-12(13)16)14(17,18)19/h4-6H,1H2,2-3H3
InChIKeyAZUWBBIVRZFIQG-UHFFFAOYSA-N
XLogP5.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.16
LogP ≤ 55.46
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]-4-ethenyl-3,5-dimethylpyrazole?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole (CID 21188130) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole is C=Cc1c(C)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1C.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole?
The InChIKey is AZUWBBIVRZFIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2/c1-4-10-7(2)20-21(8(10)3)13-11(15)5-9(6-12(13)16)14(17,18)19/h4-6H,1H2,2-3H3.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole has a molecular weight of 335.16 g/mol, XLogP of 5.46, 2 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]-4-ethenyl-3,5-dimethylpyrazole is sourced from PubChem (CID 21188130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).