5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole

C16H10F2N6 — CID 822943

IUPAC5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole
SMILESFc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c(F)c1
InChIInChI=1S/C16H10F2N6/c17-10-6-7-12(14(18)8-10)15-13(9-19-20-15)16-21-22-23-24(16)11-4-2-1-3-5-11/h1-9H,(H,19,20)
InChIKeyXPSBAKMKUGRJCM-UHFFFAOYSA-N
MW324.29 g/mol
LogP3.00
Rot. Bonds3

About 5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole

5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole (PubChem CID 822943) has the molecular formula C16H10F2N6 and a molecular weight of 324.29 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole
PubChem CID822943
Molecular FormulaC16H10F2N6
Molecular Weight324.29 g/mol
Exact Mass324.09
IUPAC Name5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole
SMILESFc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c(F)c1
InChIInChI=1S/C16H10F2N6/c17-10-6-7-12(14(18)8-10)15-13(9-19-20-15)16-21-22-23-24(16)11-4-2-1-3-5-11/h1-9H,(H,19,20)
InChIKeyXPSBAKMKUGRJCM-UHFFFAOYSA-N
XLogP3.00
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
The IUPAC name of 5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole (CID 822943) is 5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole.
What is the SMILES notation for 5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole is Fc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c(F)c1.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
The InChIKey is XPSBAKMKUGRJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6/c17-10-6-7-12(14(18)8-10)15-13(9-19-20-15)16-21-22-23-24(16)11-4-2-1-3-5-11/h1-9H,(H,19,20).
What are the key properties of 5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole?
5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole has a molecular weight of 324.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole is sourced from PubChem (CID 822943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).