1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole

C20H12ClF3N2 — CID 140579519

IUPAC1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H12ClF3N2/c21-16-7-9-17(10-8-16)26-18(12-19(25-26)20(22,23)24)15-6-5-13-3-1-2-4-14(13)11-15/h1-12H
InChIKeyGAHZAFKJTUYFGJ-UHFFFAOYSA-N
MW372.78 g/mol
LogP6.36
Rot. Bonds2

About 1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole

1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 140579519) has the molecular formula C20H12ClF3N2 and a molecular weight of 372.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID140579519
Molecular FormulaC20H12ClF3N2
Molecular Weight372.78 g/mol
Exact Mass372.06
IUPAC Name1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H12ClF3N2/c21-16-7-9-17(10-8-16)26-18(12-19(25-26)20(22,23)24)15-6-5-13-3-1-2-4-14(13)11-15/h1-12H
InChIKeyGAHZAFKJTUYFGJ-UHFFFAOYSA-N
XLogP6.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.78
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole (CID 140579519) is 1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is GAHZAFKJTUYFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N2/c21-16-7-9-17(10-8-16)26-18(12-19(25-26)20(22,23)24)15-6-5-13-3-1-2-4-14(13)11-15/h1-12H.
What are the key properties of 1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole?
1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 372.78 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 140579519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).