3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole

C13H11Cl2F3N2 — CID 70791395

IUPAC3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole
SMILESCCc1c(Cl)nn(C)c1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H11Cl2F3N2/c1-3-8-11(20(2)19-12(8)15)9-5-4-7(6-10(9)14)13(16,17)18/h4-6H,3H2,1-2H3
InChIKeyOSTQLELGMGUTDN-UHFFFAOYSA-N
MW323.15 g/mol
LogP4.98
Rot. Bonds2

About 3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole

3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole (PubChem CID 70791395) has the molecular formula C13H11Cl2F3N2 and a molecular weight of 323.15 g/mol. Its IUPAC name is 3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole
PubChem CID70791395
Molecular FormulaC13H11Cl2F3N2
Molecular Weight323.15 g/mol
Exact Mass322.03
IUPAC Name3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole
SMILESCCc1c(Cl)nn(C)c1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H11Cl2F3N2/c1-3-8-11(20(2)19-12(8)15)9-5-4-7(6-10(9)14)13(16,17)18/h4-6H,3H2,1-2H3
InChIKeyOSTQLELGMGUTDN-UHFFFAOYSA-N
XLogP4.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole?
The IUPAC name of 3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole (CID 70791395) is 3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole.
What is the SMILES notation for 3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole?
The canonical SMILES for 3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole is CCc1c(Cl)nn(C)c1-c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole?
The InChIKey is OSTQLELGMGUTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F3N2/c1-3-8-11(20(2)19-12(8)15)9-5-4-7(6-10(9)14)13(16,17)18/h4-6H,3H2,1-2H3.
What are the key properties of 3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole?
3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole has a molecular weight of 323.15 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole is sourced from PubChem (CID 70791395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).