5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole

C13H8F6N6 — CID 1490716

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESCn1cc(-c2nnnn2-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)n1
InChIInChI=1S/C13H8F6N6/c1-24-6-9(10(21-24)13(17,18)19)11-20-22-23-25(11)8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3
InChIKeyDQENIRMCVLIYKY-UHFFFAOYSA-N
MW362.24 g/mol
LogP3.10
Rot. Bonds2

About 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole

5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 1490716) has the molecular formula C13H8F6N6 and a molecular weight of 362.24 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole
PubChem CID1490716
Molecular FormulaC13H8F6N6
Molecular Weight362.24 g/mol
Exact Mass362.07
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESCn1cc(-c2nnnn2-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)n1
InChIInChI=1S/C13H8F6N6/c1-24-6-9(10(21-24)13(17,18)19)11-20-22-23-25(11)8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3
InChIKeyDQENIRMCVLIYKY-UHFFFAOYSA-N
XLogP3.10
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4H-1,2,4-triazol-4-yl)-N-({1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}methylene)amine
CID 6859150
4-(4-fluorophenyl)-2-(1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 6621349
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
(E)-1-[5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6903048
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
N-[(1E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4H-1,2,4-triazol-4-amine
CID 9559317
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1E)-(2-fluorophenyl)methylene]-4H-1,2,4-triazol-4-amine
CID 9555299
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-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole (CID 1490716) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole is Cn1cc(-c2nnnn2-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)n1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is DQENIRMCVLIYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N6/c1-24-6-9(10(21-24)13(17,18)19)11-20-22-23-25(11)8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3.
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole?
5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 362.24 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 1490716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).