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

C17H11F3N6 — CID 2825792

IUPAC1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole
SMILESFC(F)(F)c1c(-c2nnnn2-c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C17H11F3N6/c18-17(19,20)15-14(11-21-25(15)12-7-3-1-4-8-12)16-22-23-24-26(16)13-9-5-2-6-10-13/h1-11H
InChIKeyHEELYLQIVNPCPB-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.53
Rot. Bonds3

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

1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole (PubChem CID 2825792) has the molecular formula C17H11F3N6 and a molecular weight of 356.31 g/mol. Its IUPAC name is 1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole.

Molecular Properties

Compound Name1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole
PubChem CID2825792
Molecular FormulaC17H11F3N6
Molecular Weight356.31 g/mol
Exact Mass356.10
IUPAC Name1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole
SMILESFC(F)(F)c1c(-c2nnnn2-c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C17H11F3N6/c18-17(19,20)15-14(11-21-25(15)12-7-3-1-4-8-12)16-22-23-24-26(16)13-9-5-2-6-10-13/h1-11H
InChIKeyHEELYLQIVNPCPB-UHFFFAOYSA-N
XLogP3.53
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 822943
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
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818189
1-Phenyl-5-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]-1,2,3,4-tetraazole
CID 2825799
5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazole
CID 1490716
7-[(2,3-difluorophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169502
8-(2,5-difluorophenyl)-7-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169523
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
5-(1-phenyl-1H-tetraazol-5-yl)-2-(1-pyrrolidinyl)-4-(trifluoromethyl)pyrimidine
CID 1046868
1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-tetraazole
CID 1210219

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole?
The IUPAC name of 1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole (CID 2825792) is 1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole.
What is the SMILES notation for 1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole?
The canonical SMILES for 1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole is FC(F)(F)c1c(-c2nnnn2-c2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole?
The InChIKey is HEELYLQIVNPCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6/c18-17(19,20)15-14(11-21-25(15)12-7-3-1-4-8-12)16-22-23-24-26(16)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole?
1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole has a molecular weight of 356.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]tetrazole is sourced from PubChem (CID 2825792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).