1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole

C17H9F5N6 — CID 1210219

IUPAC1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole
SMILESFc1ccc(-n2nnnc2-c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1
InChIInChI=1S/C17H9F5N6/c18-10-4-6-12(7-5-10)28-16(24-25-26-28)14-9-23-27(15(14)17(20,21)22)13-3-1-2-11(19)8-13/h1-9H
InChIKeyWCYPWZFGLNCBAG-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.81
Rot. Bonds3

About 1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole

1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole (PubChem CID 1210219) has the molecular formula C17H9F5N6 and a molecular weight of 392.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole
PubChem CID1210219
Molecular FormulaC17H9F5N6
Molecular Weight392.29 g/mol
Exact Mass392.08
IUPAC Name1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole
SMILESFc1ccc(-n2nnnc2-c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1
InChIInChI=1S/C17H9F5N6/c18-10-4-6-12(7-5-10)28-16(24-25-26-28)14-9-23-27(15(14)17(20,21)22)13-3-1-2-11(19)8-13/h1-9H
InChIKeyWCYPWZFGLNCBAG-UHFFFAOYSA-N
XLogP3.81
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole?
The IUPAC name of 1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole (CID 1210219) is 1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole is Fc1ccc(-n2nnnc2-c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole?
The InChIKey is WCYPWZFGLNCBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F5N6/c18-10-4-6-12(7-5-10)28-16(24-25-26-28)14-9-23-27(15(14)17(20,21)22)13-3-1-2-11(19)8-13/h1-9H.
What are the key properties of 1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole?
1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole has a molecular weight of 392.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]tetrazole is sourced from PubChem (CID 1210219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).