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

C11H7F3N6 — CID 2825791

IUPAC1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole
SMILESFC(F)(F)c1[nH]ncc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C11H7F3N6/c12-11(13,14)9-8(6-15-16-9)10-17-18-19-20(10)7-4-2-1-3-5-7/h1-6H,(H,15,16)
InChIKeySUNWXQSRKXIMHZ-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.07
Rot. Bonds2

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

1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole (PubChem CID 2825791) has the molecular formula C11H7F3N6 and a molecular weight of 280.21 g/mol. Its IUPAC name is 1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole.

Molecular Properties

Compound Name1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole
PubChem CID2825791
Molecular FormulaC11H7F3N6
Molecular Weight280.21 g/mol
Exact Mass280.07
IUPAC Name1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole
SMILESFC(F)(F)c1[nH]ncc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C11H7F3N6/c12-11(13,14)9-8(6-15-16-9)10-17-18-19-20(10)7-4-2-1-3-5-7/h1-6H,(H,15,16)
InChIKeySUNWXQSRKXIMHZ-UHFFFAOYSA-N
XLogP2.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.07
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-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole?
The IUPAC name of 1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole (CID 2825791) is 1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole.
What is the SMILES notation for 1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole?
The canonical SMILES for 1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole is FC(F)(F)c1[nH]ncc1-c1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole?
The InChIKey is SUNWXQSRKXIMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6/c12-11(13,14)9-8(6-15-16-9)10-17-18-19-20(10)7-4-2-1-3-5-7/h1-6H,(H,15,16).
What are the key properties of 1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole?
1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole has a molecular weight of 280.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole is sourced from PubChem (CID 2825791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).