1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene

C151H241N43O10S10 — CID 158903584

IUPAC1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene
SMILESCC(C)c1ccn(C)n1.CC(C)c1ccno1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1ccsn1.CC(C)c1ccsn1.CC(C)c1cnnn1C.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncn(C)n1.CC(C)c1ncn(C)n1.CC(C)c1ncnn1C.CC(C)c1ncnn1C.CC(C)c1ncno1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1ncns1.CC(C)c1ncon1.CC(C)c1ncon1.CC(C)c1ncsn1.CC(C)c1ncsn1
InChIInChI=1S/C7H12N2.C7H10O.C7H10S.5C6H11N3.5C6H9NO.5C6H9NS.4C5H8N2O.4C5H8N2S/c1-6(2)7-4-5-9(3)8-7;2*1-6(2)7-3-4-8-5-7;2*1-5(2)6-7-4-9(3)8-6;2*1-5(2)6-7-4-8-9(6)3;1-5(2)6-4-7-8-9(6)3;1-5(2)6-3-8-4-7-6;2*1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;2*1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6;2*1-4(2)5-6-3-8-7-5;2*1-4(2)5-6-3-7-8-5;2*1-4(2)5-6-3-8-7-5;2*1-4(2)5-6-3-7-8-5/h4-6H,1-3H3;2*3-6H,1-2H3;5*4-5H,1-3H3;10*3-5H,1-2H3;8*3-4H,1-2H3
InChIKeyJFTGGHHGOUATTH-UHFFFAOYSA-N
MW3139.55 g/mol
LogP43.25
Rot. Bonds26

About 1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene

1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene (PubChem CID 158903584) has the molecular formula C151H241N43O10S10 and a molecular weight of 3139.55 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene
PubChem CID158903584
Molecular FormulaC151H241N43O10S10
Molecular Weight3139.55 g/mol
Exact Mass3136.69
IUPAC Name1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene
SMILESCC(C)c1ccn(C)n1.CC(C)c1ccno1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1ccsn1.CC(C)c1ccsn1.CC(C)c1cnnn1C.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncn(C)n1.CC(C)c1ncn(C)n1.CC(C)c1ncnn1C.CC(C)c1ncnn1C.CC(C)c1ncno1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1ncns1.CC(C)c1ncon1.CC(C)c1ncon1.CC(C)c1ncsn1.CC(C)c1ncsn1
InChIInChI=1S/C7H12N2.C7H10O.C7H10S.5C6H11N3.5C6H9NO.5C6H9NS.4C5H8N2O.4C5H8N2S/c1-6(2)7-4-5-9(3)8-7;2*1-6(2)7-3-4-8-5-7;2*1-5(2)6-7-4-9(3)8-6;2*1-5(2)6-7-4-8-9(6)3;1-5(2)6-4-7-8-9(6)3;1-5(2)6-3-8-4-7-6;2*1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;2*1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6;2*1-4(2)5-6-3-8-7-5;2*1-4(2)5-6-3-7-8-5;2*1-4(2)5-6-3-8-7-5;2*1-4(2)5-6-3-7-8-5/h4-6H,1-3H3;2*3-6H,1-2H3;5*4-5H,1-3H3;10*3-5H,1-2H3;8*3-4H,1-2H3
InChIKeyJFTGGHHGOUATTH-UHFFFAOYSA-N
XLogP43.25
TPSA637.91 Ų
H-Bond Donors
H-Bond Acceptors63
Rotatable Bonds26
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003139.55
LogP ≤ 543.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1063

Analyze 1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene?
The IUPAC name of 1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene (CID 158903584) is 1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene.
What is the SMILES notation for 1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene?
The canonical SMILES for 1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene is CC(C)c1ccn(C)n1.CC(C)c1ccno1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1ccsn1.CC(C)c1ccsn1.CC(C)c1cnnn1C.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncn(C)n1.CC(C)c1ncn(C)n1.CC(C)c1ncnn1C.CC(C)c1ncnn1C.CC(C)c1ncno1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1ncns1.CC(C)c1ncon1.CC(C)c1ncon1.CC(C)c1ncsn1.CC(C)c1ncsn1.
What is the InChIKey of 1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene?
The InChIKey is JFTGGHHGOUATTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C7H10O.C7H10S.5C6H11N3.5C6H9NO.5C6H9NS.4C5H8N2O.4C5H8N2S/c1-6(2)7-4-5-9(3)8-7;2*1-6(2)7-3-4-8-5-7;2*1-5(2)6-7-4-9(3)8-6;2*1-5(2)6-7-4-8-9(6)3;1-5(2)6-4-7-8-9(6)3;1-5(2)6-3-8-4-7-6;2*1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;2*1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6;2*1-4(2)5-6-3-8-7-5;2*1-4(2)5-6-3-7-8-5;2*1-4(2)5-6-3-8-7-5;2*1-4(2)5-6-3-7-8-5/h4-6H,1-3H3;2*3-6H,1-2H3;5*4-5H,1-3H3;10*3-5H,1-2H3;8*3-4H,1-2H3.
What are the key properties of 1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene?
1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene has a molecular weight of 3139.55 g/mol, XLogP of 43.25, 26 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-3-propan-2-yl-1,2,4-triazole);1-methyl-5-propan-2-yltriazole;bis(1-methyl-5-propan-2-yl-1,2,4-triazole);3-propan-2-ylfuran;bis(3-propan-2-yl-1,2,4-oxadiazole);bis(5-propan-2-yl-1,2,4-oxadiazole);bis(3-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-1,2,4-thiadiazole);bis(5-propan-2-yl-1,2,4-thiadiazole);bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1,2-thiazole);3-propan-2-ylthiophene is sourced from PubChem (CID 158903584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).