1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole

C156H247F2N33O9S3 — CID 158463660

About 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole

1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole (PubChem CID 158463660) has the molecular formula C156H247F2N33O9S3 and a molecular weight of 2863.11 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole
• PubChem CID: 158463660
• Molecular Formula: C156H247F2N33O9S3
• Molecular Weight: 2863.11 g/mol
• Exact Mass: 2860.90
• IUPAC Name: 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole
• SMILES: CC(C)(C)c1cc(C(C)(F)F)no1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1nncs1.CC(C)c1cc(CO)no1.CC(C)c1ccc(CO)s1.CC(C)c1ccno1.CC(C)c1cn(C)nn1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cocn1.CC(C)c1nc(C2CC2)no1.CC(C)c1ncco1.CC(C)n1cccn1.CC(C)n1cncn1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)ccn1.Cc1cnc(C(C)C)s1.Cc1cnn(C(C)C)c1.Cc1occc1C(C)C.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)n1
• InChI: InChI=1S/C13H16N2.C9H13F2NO.C9H15N.C9H13N.C8H12N2O.3C8H14N2.C8H12OS.C8H12O.C7H12N2.C7H11NO2.C7H11NS.2C6H11N3.C6H10N2S.C6H10N2.3C6H9NO.C5H9N3/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-8(2,3)7-5-6(12-13-7)9(4,10)11;1-9(2,3)8-5-6-10(4)7-8;1-7(2)9-4-5-10-8(3)6-9;1-5(2)8-9-7(10-11-8)6-3-4-6;1-8(2,3)7-5-6-10(4)9-7;1-6(2)8-5-9-10(4)7(8)3;1-4-10-6-8(5-9-10)7(2)3;1-6(2)8-4-3-7(5-9)10-8;1-6(2)8-4-5-9-7(8)3;1-6(2)9-5-7(3)4-8-9;1-5(2)7-3-6(4-9)8-10-7;1-5(2)7-8-4-6(3)9-7;1-6(2,3)5-4-7-9-8-5;1-5(2)6-4-9(3)8-7-6;1-6(2,3)5-8-7-4-9-5;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)8-4-6-3-7-8/h3-8,10-11H,9H2,1-2H3;5H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,3-4H2,1-2H3;2*5-6H,1-4H3;5-7H,4H2,1-3H3;3-4,6,9H,5H2,1-2H3;2*4-6H,1-3H3;3,5,9H,4H2,1-2H3;4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4-5H,1-3H3;4H,1-3H3;3-6H,1-2H3;4*3-5H,1-2H3
• InChIKey: HFMHKHNIECGCIH-UHFFFAOYSA-N
• XLogP: 40.95
• TPSA: 489.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 23
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2863.11
LogP ≤ 5	40.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole?

The IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole (CID 158463660) is 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole?

The canonical SMILES for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole is CC(C)(C)c1cc(C(C)(F)F)no1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1nncs1.CC(C)c1cc(CO)no1.CC(C)c1ccc(CO)s1.CC(C)c1ccno1.CC(C)c1cn(C)nn1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cocn1.CC(C)c1nc(C2CC2)no1.CC(C)c1ncco1.CC(C)n1cccn1.CC(C)n1cncn1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)ccn1.Cc1cnc(C(C)C)s1.Cc1cnn(C(C)C)c1.Cc1occc1C(C)C.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)n1.

What is the InChIKey of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole?

The InChIKey is HFMHKHNIECGCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C9H13F2NO.C9H15N.C9H13N.C8H12N2O.3C8H14N2.C8H12OS.C8H12O.C7H12N2.C7H11NO2.C7H11NS.2C6H11N3.C6H10N2S.C6H10N2.3C6H9NO.C5H9N3/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-8(2,3)7-5-6(12-13-7)9(4,10)11;1-9(2,3)8-5-6-10(4)7-8;1-7(2)9-4-5-10-8(3)6-9;1-5(2)8-9-7(10-11-8)6-3-4-6;1-8(2,3)7-5-6-10(4)9-7;1-6(2)8-5-9-10(4)7(8)3;1-4-10-6-8(5-9-10)7(2)3;1-6(2)8-4-3-7(5-9)10-8;1-6(2)8-4-5-9-7(8)3;1-6(2)9-5-7(3)4-8-9;1-5(2)7-3-6(4-9)8-10-7;1-5(2)7-8-4-6(3)9-7;1-6(2,3)5-4-7-9-8-5;1-5(2)6-4-9(3)8-7-6;1-6(2,3)5-8-7-4-9-5;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)8-4-6-3-7-8/h3-8,10-11H,9H2,1-2H3;5H,1-4H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,3-4H2,1-2H3;2*5-6H,1-4H3;5-7H,4H2,1-3H3;3-4,6,9H,5H2,1-2H3;2*4-6H,1-3H3;3,5,9H,4H2,1-2H3;4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4-5H,1-3H3;4H,1-3H3;3-6H,1-2H3;4*3-5H,1-2H3.

What are the key properties of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole?

1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole has a molecular weight of 2863.11 g/mol, XLogP of 40.95, 23 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 158463660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).