3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane

C140H185ClF6N24O — CID 161232878

IUPAC3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane
SMILESC.C.CC(C)(C)c1cc(C(F)(F)F)n(-c2ccccc2)n1.CC(C)(C)c1ccn(-c2cccc(F)c2)n1.CC(C)(C)c1ccn(-c2ccccc2)n1.CC(C)(C)c1ccn(-c2ccccc2F)n1.CC(C)c1ccn(-c2cccc(Cl)c2)n1.CC(C)n1ccc(C(C)(C)C)n1.CCc1nc(C(C)(C)C)nn1-c1ccccc1.COc1nc(C(C)(C)C)nn1-c1ccccc1.Cc1cc(C(C)(C)C)nn1-c1ccc(F)cc1.Cc1cc(C(C)(C)C)nn1-c1ccccc1.Cn1ccc(C(C)(C)C)n1
InChIInChI=1S/C14H15F3N2.C14H17FN2.C14H19N3.C14H18N2.2C13H15FN2.C13H17N3O.C13H16N2.C12H13ClN2.C10H18N2.C8H14N2.2CH4/c1-13(2,3)11-9-12(14(15,16)17)19(18-11)10-7-5-4-6-8-10;1-10-9-13(14(2,3)4)16-17(10)12-7-5-11(15)6-8-12;1-5-12-15-13(14(2,3)4)16-17(12)11-9-7-6-8-10-11;1-11-10-13(14(2,3)4)15-16(11)12-8-6-5-7-9-12;1-13(2,3)12-7-8-16(15-12)11-6-4-5-10(14)9-11;1-13(2,3)12-8-9-16(15-12)11-7-5-4-6-10(11)14;1-13(2,3)11-14-12(17-4)16(15-11)10-8-6-5-7-9-10;1-13(2,3)12-9-10-15(14-12)11-7-5-4-6-8-11;1-9(2)12-6-7-15(14-12)11-5-3-4-10(13)8-11;1-8(2)12-7-6-9(11-12)10(3,4)5;1-8(2,3)7-5-6-10(4)9-7;;/h4-9H,1-3H3;5-9H,1-4H3;6-10H,5H2,1-4H3;5-10H,1-4H3;2*4-9H,1-3H3;5-9H,1-4H3;4-10H,1-3H3;3-9H,1-2H3;6-8H,1-5H3;5-6H,1-4H3;2*1H4
InChIKeyUYZIQJSTNCDCNY-UHFFFAOYSA-N
MW2369.63 g/mol
LogP36.17
Rot. Bonds13

About 3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane

3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane (PubChem CID 161232878) has the molecular formula C140H185ClF6N24O and a molecular weight of 2369.63 g/mol. Its IUPAC name is 3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane.

Molecular Properties

Compound Name3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane
PubChem CID161232878
Molecular FormulaC140H185ClF6N24O
Molecular Weight2369.63 g/mol
Exact Mass2367.48
IUPAC Name3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane
SMILESC.C.CC(C)(C)c1cc(C(F)(F)F)n(-c2ccccc2)n1.CC(C)(C)c1ccn(-c2cccc(F)c2)n1.CC(C)(C)c1ccn(-c2ccccc2)n1.CC(C)(C)c1ccn(-c2ccccc2F)n1.CC(C)c1ccn(-c2cccc(Cl)c2)n1.CC(C)n1ccc(C(C)(C)C)n1.CCc1nc(C(C)(C)C)nn1-c1ccccc1.COc1nc(C(C)(C)C)nn1-c1ccccc1.Cc1cc(C(C)(C)C)nn1-c1ccc(F)cc1.Cc1cc(C(C)(C)C)nn1-c1ccccc1.Cn1ccc(C(C)(C)C)n1
InChIInChI=1S/C14H15F3N2.C14H17FN2.C14H19N3.C14H18N2.2C13H15FN2.C13H17N3O.C13H16N2.C12H13ClN2.C10H18N2.C8H14N2.2CH4/c1-13(2,3)11-9-12(14(15,16)17)19(18-11)10-7-5-4-6-8-10;1-10-9-13(14(2,3)4)16-17(10)12-7-5-11(15)6-8-12;1-5-12-15-13(14(2,3)4)16-17(12)11-9-7-6-8-10-11;1-11-10-13(14(2,3)4)15-16(11)12-8-6-5-7-9-12;1-13(2,3)12-7-8-16(15-12)11-6-4-5-10(14)9-11;1-13(2,3)12-8-9-16(15-12)11-7-5-4-6-10(11)14;1-13(2,3)11-14-12(17-4)16(15-11)10-8-6-5-7-9-10;1-13(2,3)12-9-10-15(14-12)11-7-5-4-6-8-11;1-9(2)12-6-7-15(14-12)11-5-3-4-10(13)8-11;1-8(2)12-7-6-9(11-12)10(3,4)5;1-8(2,3)7-5-6-10(4)9-7;;/h4-9H,1-3H3;5-9H,1-4H3;6-10H,5H2,1-4H3;5-10H,1-4H3;2*4-9H,1-3H3;5-9H,1-4H3;4-10H,1-3H3;3-9H,1-2H3;6-8H,1-5H3;5-6H,1-4H3;2*1H4
InChIKeyUYZIQJSTNCDCNY-UHFFFAOYSA-N
XLogP36.17
TPSA231.03 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002369.63
LogP ≤ 536.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane?
The IUPAC name of 3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane (CID 161232878) is 3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane.
What is the SMILES notation for 3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane?
The canonical SMILES for 3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane is C.C.CC(C)(C)c1cc(C(F)(F)F)n(-c2ccccc2)n1.CC(C)(C)c1ccn(-c2cccc(F)c2)n1.CC(C)(C)c1ccn(-c2ccccc2)n1.CC(C)(C)c1ccn(-c2ccccc2F)n1.CC(C)c1ccn(-c2cccc(Cl)c2)n1.CC(C)n1ccc(C(C)(C)C)n1.CCc1nc(C(C)(C)C)nn1-c1ccccc1.COc1nc(C(C)(C)C)nn1-c1ccccc1.Cc1cc(C(C)(C)C)nn1-c1ccc(F)cc1.Cc1cc(C(C)(C)C)nn1-c1ccccc1.Cn1ccc(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane?
The InChIKey is UYZIQJSTNCDCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2.C14H17FN2.C14H19N3.C14H18N2.2C13H15FN2.C13H17N3O.C13H16N2.C12H13ClN2.C10H18N2.C8H14N2.2CH4/c1-13(2,3)11-9-12(14(15,16)17)19(18-11)10-7-5-4-6-8-10;1-10-9-13(14(2,3)4)16-17(10)12-7-5-11(15)6-8-12;1-5-12-15-13(14(2,3)4)16-17(12)11-9-7-6-8-10-11;1-11-10-13(14(2,3)4)15-16(11)12-8-6-5-7-9-12;1-13(2,3)12-7-8-16(15-12)11-6-4-5-10(14)9-11;1-13(2,3)12-8-9-16(15-12)11-7-5-4-6-10(11)14;1-13(2,3)11-14-12(17-4)16(15-11)10-8-6-5-7-9-10;1-13(2,3)12-9-10-15(14-12)11-7-5-4-6-8-11;1-9(2)12-6-7-15(14-12)11-5-3-4-10(13)8-11;1-8(2)12-7-6-9(11-12)10(3,4)5;1-8(2,3)7-5-6-10(4)9-7;;/h4-9H,1-3H3;5-9H,1-4H3;6-10H,5H2,1-4H3;5-10H,1-4H3;2*4-9H,1-3H3;5-9H,1-4H3;4-10H,1-3H3;3-9H,1-2H3;6-8H,1-5H3;5-6H,1-4H3;2*1H4.
What are the key properties of 3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane?
3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane has a molecular weight of 2369.63 g/mol, XLogP of 36.17, 13 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethyl-1-phenyl-1,2,4-triazole;3-tert-butyl-1-(4-fluorophenyl)-5-methylpyrazole;3-tert-butyl-1-(2-fluorophenyl)pyrazole;3-tert-butyl-1-(3-fluorophenyl)pyrazole;3-tert-butyl-5-methoxy-1-phenyl-1,2,4-triazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-phenylpyrazole;3-tert-butyl-1-phenyl-5-(trifluoromethyl)pyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(3-chlorophenyl)-3-propan-2-ylpyrazole;methane is sourced from PubChem (CID 161232878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).