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

C11H6ClF3N6 — CID 2825793

IUPAC1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole
SMILESFC(F)(F)c1[nH]ncc1-c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H6ClF3N6/c12-6-1-3-7(4-2-6)21-10(18-19-20-21)8-5-16-17-9(8)11(13,14)15/h1-5H,(H,16,17)
InChIKeyFPKCOKQGNRCZCK-UHFFFAOYSA-N
MW314.66 g/mol
LogP2.72
Rot. Bonds2

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

1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole (PubChem CID 2825793) has the molecular formula C11H6ClF3N6 and a molecular weight of 314.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole
PubChem CID2825793
Molecular FormulaC11H6ClF3N6
Molecular Weight314.66 g/mol
Exact Mass314.03
IUPAC Name1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole
SMILESFC(F)(F)c1[nH]ncc1-c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H6ClF3N6/c12-6-1-3-7(4-2-6)21-10(18-19-20-21)8-5-16-17-9(8)11(13,14)15/h1-5H,(H,16,17)
InChIKeyFPKCOKQGNRCZCK-UHFFFAOYSA-N
XLogP2.72
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.66
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole (CID 2825793) is 1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole is FC(F)(F)c1[nH]ncc1-c1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole?
The InChIKey is FPKCOKQGNRCZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N6/c12-6-1-3-7(4-2-6)21-10(18-19-20-21)8-5-16-17-9(8)11(13,14)15/h1-5H,(H,16,17).
What are the key properties of 1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole?
1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole has a molecular weight of 314.66 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]tetrazole is sourced from PubChem (CID 2825793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).