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

C20H10F6N2 — CID 123139950

IUPAC5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole
SMILESFc1cc(F)c(-c2cc(-c3cccc4ccccc34)n(C(F)(F)F)n2)cc1F
InChIInChI=1S/C20H10F6N2/c21-15-9-17(23)16(22)8-14(15)18-10-19(28(27-18)20(24,25)26)13-7-3-5-11-4-1-2-6-12(11)13/h1-10H
InChIKeyAFUXSMNOEHJKEG-UHFFFAOYSA-N
MW392.30 g/mol
LogP6.26
Rot. Bonds2

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

5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole (PubChem CID 123139950) has the molecular formula C20H10F6N2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole
PubChem CID123139950
Molecular FormulaC20H10F6N2
Molecular Weight392.30 g/mol
Exact Mass392.07
IUPAC Name5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole
SMILESFc1cc(F)c(-c2cc(-c3cccc4ccccc34)n(C(F)(F)F)n2)cc1F
InChIInChI=1S/C20H10F6N2/c21-15-9-17(23)16(22)8-14(15)18-10-19(28(27-18)20(24,25)26)13-7-3-5-11-4-1-2-6-12(11)13/h1-10H
InChIKeyAFUXSMNOEHJKEG-UHFFFAOYSA-N
XLogP6.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole?
The IUPAC name of 5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole (CID 123139950) is 5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole.
What is the SMILES notation for 5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole?
The canonical SMILES for 5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole is Fc1cc(F)c(-c2cc(-c3cccc4ccccc34)n(C(F)(F)F)n2)cc1F.
What is the InChIKey of 5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole?
The InChIKey is AFUXSMNOEHJKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6N2/c21-15-9-17(23)16(22)8-14(15)18-10-19(28(27-18)20(24,25)26)13-7-3-5-11-4-1-2-6-12(11)13/h1-10H.
What are the key properties of 5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole?
5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole has a molecular weight of 392.30 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-1-(trifluoromethyl)-3-(2,4,5-trifluorophenyl)pyrazole is sourced from PubChem (CID 123139950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).