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

C17H10F4N6 — CID 1046796

IUPAC5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole
SMILESFc1cccc(-n2ncc(-c3nnnn3-c3ccccc3)c2C(F)(F)F)c1
InChIInChI=1S/C17H10F4N6/c18-11-5-4-8-13(9-11)26-15(17(19,20)21)14(10-22-26)16-23-24-25-27(16)12-6-2-1-3-7-12/h1-10H
InChIKeyLRSGPJGYOQEDCD-UHFFFAOYSA-N
MW374.30 g/mol
LogP3.67
Rot. Bonds3

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

5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole (PubChem CID 1046796) has the molecular formula C17H10F4N6 and a molecular weight of 374.30 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole
PubChem CID1046796
Molecular FormulaC17H10F4N6
Molecular Weight374.30 g/mol
Exact Mass374.09
IUPAC Name5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole
SMILESFc1cccc(-n2ncc(-c3nnnn3-c3ccccc3)c2C(F)(F)F)c1
InChIInChI=1S/C17H10F4N6/c18-11-5-4-8-13(9-11)26-15(17(19,20)21)14(10-22-26)16-23-24-25-27(16)12-6-2-1-3-7-12/h1-10H
InChIKeyLRSGPJGYOQEDCD-UHFFFAOYSA-N
XLogP3.67
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole?
The IUPAC name of 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole (CID 1046796) is 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole.
What is the SMILES notation for 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole?
The canonical SMILES for 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole is Fc1cccc(-n2ncc(-c3nnnn3-c3ccccc3)c2C(F)(F)F)c1.
What is the InChIKey of 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole?
The InChIKey is LRSGPJGYOQEDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N6/c18-11-5-4-8-13(9-11)26-15(17(19,20)21)14(10-22-26)16-23-24-25-27(16)12-6-2-1-3-7-12/h1-10H.
What are the key properties of 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole?
5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole has a molecular weight of 374.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole is sourced from PubChem (CID 1046796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).