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

C17H11F3N6 — CID 135659246

IUPAC1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole
SMILESFC(F)(F)c1cccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H11F3N6/c18-17(19,20)12-6-4-5-11(9-12)15-14(10-21-22-15)16-23-24-25-26(16)13-7-2-1-3-8-13/h1-10H,(H,21,22)
InChIKeyTUTIMSOIADPHJN-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.74
Rot. Bonds3

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

1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole (PubChem CID 135659246) has the molecular formula C17H11F3N6 and a molecular weight of 356.31 g/mol. Its IUPAC name is 1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole.

Molecular Properties

Compound Name1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole
PubChem CID135659246
Molecular FormulaC17H11F3N6
Molecular Weight356.31 g/mol
Exact Mass356.10
IUPAC Name1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole
SMILESFC(F)(F)c1cccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H11F3N6/c18-17(19,20)12-6-4-5-11(9-12)15-14(10-21-22-15)16-23-24-25-26(16)13-7-2-1-3-8-13/h1-10H,(H,21,22)
InChIKeyTUTIMSOIADPHJN-UHFFFAOYSA-N
XLogP3.74
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole?
The IUPAC name of 1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole (CID 135659246) is 1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole.
What is the SMILES notation for 1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole?
The canonical SMILES for 1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole is FC(F)(F)c1cccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole?
The InChIKey is TUTIMSOIADPHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6/c18-17(19,20)12-6-4-5-11(9-12)15-14(10-21-22-15)16-23-24-25-26(16)13-7-2-1-3-8-13/h1-10H,(H,21,22).
What are the key properties of 1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole?
1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole has a molecular weight of 356.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]tetrazole is sourced from PubChem (CID 135659246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).