5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole

C12H8ClF3N2 — CID 50942903

IUPAC5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(/C=C\c2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C12H8ClF3N2/c13-11-7-9(12(14,15)16)3-1-8(11)2-4-10-5-6-17-18-10/h1-7H,(H,17,18)/b4-2-
InChIKeyHXIDLIHIKHCQLI-RQOWECAXSA-N
MW272.66 g/mol
LogP4.25
Rot. Bonds2

About 5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole

5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole (PubChem CID 50942903) has the molecular formula C12H8ClF3N2 and a molecular weight of 272.66 g/mol. Its IUPAC name is 5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
PubChem CID50942903
Molecular FormulaC12H8ClF3N2
Molecular Weight272.66 g/mol
Exact Mass272.03
IUPAC Name5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(/C=C\c2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C12H8ClF3N2/c13-11-7-9(12(14,15)16)3-1-8(11)2-4-10-5-6-17-18-10/h1-7H,(H,17,18)/b4-2-
InChIKeyHXIDLIHIKHCQLI-RQOWECAXSA-N
XLogP4.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole?
The IUPAC name of 5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole (CID 50942903) is 5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole.
What is the SMILES notation for 5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole?
The canonical SMILES for 5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole is FC(F)(F)c1ccc(/C=C\c2ccn[nH]2)c(Cl)c1.
What is the InChIKey of 5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole?
The InChIKey is HXIDLIHIKHCQLI-RQOWECAXSA-N. The full InChI is InChI=1S/C12H8ClF3N2/c13-11-7-9(12(14,15)16)3-1-8(11)2-4-10-5-6-17-18-10/h1-7H,(H,17,18)/b4-2-.
What are the key properties of 5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole?
5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole has a molecular weight of 272.66 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole is sourced from PubChem (CID 50942903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).