1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole

C48H74F6N12OS — CID 167565402

IUPAC1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole
SMILESCC(C)C1=NCC=C1C(F)(F)F.CC(C)c1[nH]ncc1C(F)(F)F.CC(C)c1nccn1C.CC(C)c1nccs1.Cc1cn[nH]c1C(C)C.Cc1cnnn1C(C)C.Cc1conc1C(C)C
InChIInChI=1S/C8H10F3N.C7H9F3N2.2C7H12N2.C7H11NO.C6H11N3.C6H9NS/c1-5(2)7-6(3-4-12-7)8(9,10)11;1-4(2)6-5(3-11-12-6)7(8,9)10;1-6(2)7-8-4-5-9(7)3;1-5(2)7-6(3)4-8-9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)9-6(3)4-7-8-9;1-5(2)6-7-3-4-8-6/h3,5H,4H2,1-2H3;3-4H,1-2H3,(H,11,12);4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3
InChIKeyFFEUVZVRBZOYQO-UHFFFAOYSA-N
MW981.26 g/mol
LogP14.06
Rot. Bonds7

About 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole

1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole (PubChem CID 167565402) has the molecular formula C48H74F6N12OS and a molecular weight of 981.26 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole
PubChem CID167565402
Molecular FormulaC48H74F6N12OS
Molecular Weight981.26 g/mol
Exact Mass980.57
IUPAC Name1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole
SMILESCC(C)C1=NCC=C1C(F)(F)F.CC(C)c1[nH]ncc1C(F)(F)F.CC(C)c1nccn1C.CC(C)c1nccs1.Cc1cn[nH]c1C(C)C.Cc1cnnn1C(C)C.Cc1conc1C(C)C
InChIInChI=1S/C8H10F3N.C7H9F3N2.2C7H12N2.C7H11NO.C6H11N3.C6H9NS/c1-5(2)7-6(3-4-12-7)8(9,10)11;1-4(2)6-5(3-11-12-6)7(8,9)10;1-6(2)7-8-4-5-9(7)3;1-5(2)7-6(3)4-8-9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)9-6(3)4-7-8-9;1-5(2)6-7-3-4-8-6/h3,5H,4H2,1-2H3;3-4H,1-2H3,(H,11,12);4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3
InChIKeyFFEUVZVRBZOYQO-UHFFFAOYSA-N
XLogP14.06
TPSA157.17 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500981.26
LogP ≤ 514.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole (CID 167565402) is 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole is CC(C)C1=NCC=C1C(F)(F)F.CC(C)c1[nH]ncc1C(F)(F)F.CC(C)c1nccn1C.CC(C)c1nccs1.Cc1cn[nH]c1C(C)C.Cc1cnnn1C(C)C.Cc1conc1C(C)C.
What is the InChIKey of 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole?
The InChIKey is FFEUVZVRBZOYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N.C7H9F3N2.2C7H12N2.C7H11NO.C6H11N3.C6H9NS/c1-5(2)7-6(3-4-12-7)8(9,10)11;1-4(2)6-5(3-11-12-6)7(8,9)10;1-6(2)7-8-4-5-9(7)3;1-5(2)7-6(3)4-8-9-7;1-5(2)7-6(3)4-9-8-7;1-5(2)9-6(3)4-7-8-9;1-5(2)6-7-3-4-8-6/h3,5H,4H2,1-2H3;3-4H,1-2H3,(H,11,12);4-6H,1-3H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole?
1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole has a molecular weight of 981.26 g/mol, XLogP of 14.06, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylimidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-1-propan-2-yltriazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-4-(trifluoromethyl)-1H-pyrazole;5-propan-2-yl-4-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 167565402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).