1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine
C97H158FN19O — CID 157056603
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1cccc(F)c1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)n1cccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1cn(C(C)C)cn1.Cc1cnn(C(C)C)c1
InChIInChI=1S/C9H11F.2C9H13N.C8H18N2.2C8H11N.3C7H12N2.C7H15NO.3C6H10N2/c1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6/h3-7H,1-2H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;2*3-7H,1-2H3;3*4-6H,1-3H3;7H,3-6H2,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyAAVHAUBHLZKPDT-UHFFFAOYSA-N
MW1625.46 g/mol
LogP23.37
Rot. Bonds13
About 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine
1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 157056603) has the molecular formula C97H158FN19O and a molecular weight of 1625.46 g/mol. Its IUPAC name is 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine.
Molecular Properties
| Compound Name | 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine |
|---|---|
| PubChem CID | 157056603 |
| Molecular Formula | C97H158FN19O |
| Molecular Weight | 1625.46 g/mol |
| Exact Mass | 1624.29 |
| IUPAC Name | 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine |
| SMILES | CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1cccc(F)c1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)n1cccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1cn(C(C)C)cn1.Cc1cnn(C(C)C)c1 |
| InChI | InChI=1S/C9H11F.2C9H13N.C8H18N2.2C8H11N.3C7H12N2.C7H15NO.3C6H10N2/c1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6/h3-7H,1-2H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;2*3-7H,1-2H3;3*4-6H,1-3H3;7H,3-6H2,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8) |
| InChIKey | AAVHAUBHLZKPDT-UHFFFAOYSA-N |
| XLogP | 23.37 |
| TPSA | 199.15 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 118 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1625.46 |
| LogP ≤ 5 | 23.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 18 |
Frequently Asked Questions
What is the IUPAC name of 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 157056603) is 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine is CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1cccc(F)c1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)n1cccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1cn(C(C)C)cn1.Cc1cnn(C(C)C)c1.
What is the InChIKey of 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is AAVHAUBHLZKPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.2C9H13N.C8H18N2.2C8H11N.3C7H12N2.C7H15NO.3C6H10N2/c1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)9-4-7(3)8-5-9;1-6(2)9-5-7(3)4-8-9;1-7(2)8-3-5-9-6-4-8;1-5(2)6-3-7-8-4-6;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6/h3-7H,1-2H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;2*3-7H,1-2H3;3*4-6H,1-3H3;7H,3-6H2,1-2H3;3-5H,1-2H3,(H,7,8);3-6H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 1625.46 g/mol, XLogP of 23.37, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 157056603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 157056603 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.