4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole

C8H8ClF3N2 — CID 85151240

IUPAC4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C=CCl)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H8ClF3N2/c1-5-6(3-4-9)7(8(10,11)12)13-14(5)2/h3-4H,1-2H3
InChIKeyFNDPPEVGUBHIQU-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.96
Rot. Bonds1

About 4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole

4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 85151240) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
PubChem CID85151240
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(C=CCl)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H8ClF3N2/c1-5-6(3-4-9)7(8(10,11)12)13-14(5)2/h3-4H,1-2H3
InChIKeyFNDPPEVGUBHIQU-UHFFFAOYSA-N
XLogP2.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole (CID 85151240) is 4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole is Cc1c(C=CCl)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is FNDPPEVGUBHIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c1-5-6(3-4-9)7(8(10,11)12)13-14(5)2/h3-4H,1-2H3.
What are the key properties of 4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 224.61 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 85151240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).