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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Related Compounds

Pyrazole 79
CID 23647348
N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 135569777
5-[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole
CID 1046800
4-[4-(4-fluorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine
CID 1472687
3-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-5-[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole
CID 145966280
1-(4-methylphenyl)-4-(2H-1,2,3,4-tetraazol-5-yl)-1H-pyrazol-5-amine
CID 2806155
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818189
5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazole
CID 1490716
5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 1046796
5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole
CID 1046816
1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-tetraazole
CID 1210219
1-(3,5-dimethylphenyl)-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-1,2,3,4-tetraazole
CID 1490710

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).