5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole

C10H5ClF4N2 — CID 66020948

IUPAC5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFc1ccc(-n2nc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C10H5ClF4N2/c11-9-5-8(10(13,14)15)16-17(9)7-3-1-6(12)2-4-7/h1-5H
InChIKeyUWMARTBYKQJXME-UHFFFAOYSA-N
MW264.61 g/mol
LogP3.68
Rot. Bonds1

About 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole

5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 66020948) has the molecular formula C10H5ClF4N2 and a molecular weight of 264.61 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole
PubChem CID66020948
Molecular FormulaC10H5ClF4N2
Molecular Weight264.61 g/mol
Exact Mass264.01
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFc1ccc(-n2nc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C10H5ClF4N2/c11-9-5-8(10(13,14)15)16-17(9)7-3-1-6(12)2-4-7/h1-5H
InChIKeyUWMARTBYKQJXME-UHFFFAOYSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole (CID 66020948) is 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole is Fc1ccc(-n2nc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is UWMARTBYKQJXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF4N2/c11-9-5-8(10(13,14)15)16-17(9)7-3-1-6(12)2-4-7/h1-5H.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole?
5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 264.61 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66020948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).