5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole

C18H12F4N6 — CID 1046816

IUPAC5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1
InChIInChI=1S/C18H12F4N6/c1-11-5-7-13(8-6-11)28-17(24-25-26-28)15-10-23-27(16(15)18(20,21)22)14-4-2-3-12(19)9-14/h2-10H,1H3
InChIKeyZGDOXVJVHTYVBL-UHFFFAOYSA-N
MW388.33 g/mol
LogP3.98
Rot. Bonds3

About 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole

5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole (PubChem CID 1046816) has the molecular formula C18H12F4N6 and a molecular weight of 388.33 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
PubChem CID1046816
Molecular FormulaC18H12F4N6
Molecular Weight388.33 g/mol
Exact Mass388.11
IUPAC Name5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2-c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1
InChIInChI=1S/C18H12F4N6/c1-11-5-7-13(8-6-11)28-17(24-25-26-28)15-10-23-27(16(15)18(20,21)22)14-4-2-3-12(19)9-14/h2-10H,1H3
InChIKeyZGDOXVJVHTYVBL-UHFFFAOYSA-N
XLogP3.98
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-3-[(4-fluorobenzyl)sulfanyl]-5-[1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole
CID 2768229
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
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 16190725
1-[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 16192279
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
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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole (CID 1046816) is 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2-c2cnn(-c3cccc(F)c3)c2C(F)(F)F)cc1.
What is the InChIKey of 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
The InChIKey is ZGDOXVJVHTYVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N6/c1-11-5-7-13(8-6-11)28-17(24-25-26-28)15-10-23-27(16(15)18(20,21)22)14-4-2-3-12(19)9-14/h2-10H,1H3.
What are the key properties of 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole?
5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole has a molecular weight of 388.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 1046816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).