3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
C156H248F2N24O — CID 167636690
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESCC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1cnoc1.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCCC1.CC(C)c1ccncc1C(C)C.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCc1n[nH]c(CC)c1C(C)C.Cc1cncc(C)c1C(C)C.Cc1nccnc1C(C)C.Cc1ncnc(C)c1C(C)C
InChIInChI=1S/C12H16F2N2.C12H18N2.2C11H17N.C11H16.C10H18N2.C10H15N.C10H14.3C9H16N2.C9H14N2.2C9H16N2.C8H12N2.C7H11NO/c1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-9(2)10(3)11-7-5-4-6-8-11;1-5-8-10(7(3)4)9(6-2)12-11-8;1-7(2)10-8(3)5-11-6-9(10)4;1-9(2)8-10-6-4-3-5-7-10;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)9-7(3)10-5-11-8(9)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-7(3)9-4-5-10-8;1-6(2)3-7-4-8-9-5-7/h3-4,6,9H,5,7-8H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;2*5-9H,1-4H3;4-10H,1-3H3;7H,5-6H2,1-4H3,(H,11,12);5-7H,1-4H3;3-7,9H,8H2,1-2H3;3*5-8H,1-4H3;5-6H,1-4H3;2*5-7H,1-4H3,(H,10,11);4-6H,1-3H3;4-6H,3H2,1-2H3
InChIKeyOOTUQFZSAFMORU-UHFFFAOYSA-N
MW2513.86 g/mol
LogP43.40
Rot. Bonds30
About 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 167636690) has the molecular formula C156H248F2N24O and a molecular weight of 2513.86 g/mol. Its IUPAC name is 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine.
Molecular Properties
| Compound Name | 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine |
|---|---|
| PubChem CID | 167636690 |
| Molecular Formula | C156H248F2N24O |
| Molecular Weight | 2513.86 g/mol |
| Exact Mass | 2512.01 |
| IUPAC Name | 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine |
| SMILES | CC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1cnoc1.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCCC1.CC(C)c1ccncc1C(C)C.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCc1n[nH]c(CC)c1C(C)C.Cc1cncc(C)c1C(C)C.Cc1nccnc1C(C)C.Cc1ncnc(C)c1C(C)C |
| InChI | InChI=1S/C12H16F2N2.C12H18N2.2C11H17N.C11H16.C10H18N2.C10H15N.C10H14.3C9H16N2.C9H14N2.2C9H16N2.C8H12N2.C7H11NO/c1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-9(2)10(3)11-7-5-4-6-8-11;1-5-8-10(7(3)4)9(6-2)12-11-8;1-7(2)10-8(3)5-11-6-9(10)4;1-9(2)8-10-6-4-3-5-7-10;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)9-7(3)10-5-11-8(9)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-7(3)9-4-5-10-8;1-6(2)3-7-4-8-9-5-7/h3-4,6,9H,5,7-8H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;2*5-9H,1-4H3;4-10H,1-3H3;7H,5-6H2,1-4H3,(H,11,12);5-7H,1-4H3;3-7,9H,8H2,1-2H3;3*5-8H,1-4H3;5-6H,1-4H3;2*5-7H,1-4H3,(H,10,11);4-6H,1-3H3;4-6H,3H2,1-2H3 |
| InChIKey | OOTUQFZSAFMORU-UHFFFAOYSA-N |
| XLogP | 43.40 |
| TPSA | 288.02 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 183 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2513.86 |
| LogP ≤ 5 | 43.40 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 22 |
Frequently Asked Questions
What is the IUPAC name of 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine (CID 167636690) is 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine is CC(C)C(C)c1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1cnoc1.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCCC1.CC(C)c1ccncc1C(C)C.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCc1n[nH]c(CC)c1C(C)C.Cc1cncc(C)c1C(C)C.Cc1nccnc1C(C)C.Cc1ncnc(C)c1C(C)C.
What is the InChIKey of 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The InChIKey is OOTUQFZSAFMORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2.C12H18N2.2C11H17N.C11H16.C10H18N2.C10H15N.C10H14.3C9H16N2.C9H14N2.2C9H16N2.C8H12N2.C7H11NO/c1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-9(2)10(3)11-7-5-4-6-8-11;1-5-8-10(7(3)4)9(6-2)12-11-8;1-7(2)10-8(3)5-11-6-9(10)4;1-9(2)8-10-6-4-3-5-7-10;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)9-7(3)10-5-11-8(9)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-7(3)9-4-5-10-8;1-6(2)3-7-4-8-9-5-7/h3-4,6,9H,5,7-8H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;2*5-9H,1-4H3;4-10H,1-3H3;7H,5-6H2,1-4H3,(H,11,12);5-7H,1-4H3;3-7,9H,8H2,1-2H3;3*5-8H,1-4H3;5-6H,1-4H3;2*5-7H,1-4H3,(H,10,11);4-6H,1-3H3;4-6H,3H2,1-2H3.
What are the key properties of 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine?
3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine has a molecular weight of 2513.86 g/mol, XLogP of 43.40, 30 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 167636690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 167636690 — identifiers, structure, computed properties (public domain)
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