3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline

C196H247N17O4S — CID 158134406

About 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline

3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline (PubChem CID 158134406) has the molecular formula C196H247N17O4S and a molecular weight of 2937.31 g/mol. Its IUPAC name is 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline.

Molecular Properties

• Compound Name: 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline
• PubChem CID: 158134406
• Molecular Formula: C196H247N17O4S
• Molecular Weight: 2937.31 g/mol
• Exact Mass: 2934.94
• IUPAC Name: 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline
• SMILES: CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc(-c2cncs2)c1.CC(C)c1cccc(-c2cnn(C)c2)c1.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1-c1ccccn1.CC(C)c1ccccc1N1CCCCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc2cc[nH]c12.CC(C)c1ccncc1.CCOc1cccc(C(C)C)c1.COCCOc1cccc(C(C)C)c1.COc1cc(C)c(C(C)C)c(C)c1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.[C-]#[N+]c1cc(C)c(C(C)C)c(C)c1
• InChI: InChI=1S/C14H18N2.C14H21N.C14H15N.C13H16N2.C12H13NS.4C12H13N.C12H15N.C12H18O2.C12H18O.C11H16O.C10H12N2.3C8H11N/c1-10(2)13-6-5-7-14(9-13)16-12(4)8-11(3)15-16;1-12(2)13-8-4-5-9-14(13)15-10-6-3-7-11-15;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-15-14;1-10(2)11-5-4-6-12(7-11)13-8-14-15(3)9-13;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)12-9(3)6-11(13-5)7-10(12)4;1-10(2)11-5-4-6-12(9-11)14-8-7-13-3;1-8(2)12-9(3)6-11(13-5)7-10(12)4;1-4-12-11-7-5-6-10(8-11)9(2)3;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h5-10H,1-4H3;4-5,8-9,12H,3,6-7,10-11H2,1-2H3;3-11H,1-2H3;4-10H,1-3H3;3-9H,1-2H3;4*3-9H,1-2H3;6-8H,1-4H3;4-6,9-10H,7-8H2,1-3H3;6-8H,1-5H3;5-9H,4H2,1-3H3;3-7,12H,1-2H3;3*3-7H,1-2H3
• InChIKey: FTEBUFLUVSDMMQ-UHFFFAOYSA-N
• XLogP: 54.62
• TPSA: 224.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2937.31
LogP ≤ 5	54.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline?

The IUPAC name of 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline (CID 158134406) is 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline.

What is the SMILES notation for 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline?

The canonical SMILES for 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline is CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc(-c2cncs2)c1.CC(C)c1cccc(-c2cnn(C)c2)c1.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1-c1ccccn1.CC(C)c1ccccc1N1CCCCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc2cc[nH]c12.CC(C)c1ccncc1.CCOc1cccc(C(C)C)c1.COCCOc1cccc(C(C)C)c1.COc1cc(C)c(C(C)C)c(C)c1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.[C-]#[N+]c1cc(C)c(C(C)C)c(C)c1.

What is the InChIKey of 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline?

The InChIKey is FTEBUFLUVSDMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C14H21N.C14H15N.C13H16N2.C12H13NS.4C12H13N.C12H15N.C12H18O2.C12H18O.C11H16O.C10H12N2.3C8H11N/c1-10(2)13-6-5-7-14(9-13)16-12(4)8-11(3)15-16;1-12(2)13-8-4-5-9-14(13)15-10-6-3-7-11-15;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-15-14;1-10(2)11-5-4-6-12(7-11)13-8-14-15(3)9-13;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)12-9(3)6-11(13-5)7-10(12)4;1-10(2)11-5-4-6-12(9-11)14-8-7-13-3;1-8(2)12-9(3)6-11(13-5)7-10(12)4;1-4-12-11-7-5-6-10(8-11)9(2)3;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h5-10H,1-4H3;4-5,8-9,12H,3,6-7,10-11H2,1-2H3;3-11H,1-2H3;4-10H,1-3H3;3-9H,1-2H3;4*3-9H,1-2H3;6-8H,1-4H3;4-6,9-10H,7-8H2,1-3H3;6-8H,1-5H3;5-9H,4H2,1-3H3;3-7,12H,1-2H3;3*3-7H,1-2H3.

What are the key properties of 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline?

3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline has a molecular weight of 2937.31 g/mol, XLogP of 54.62, 29 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;1-ethoxy-3-propan-2-ylbenzene;5-isocyano-1,3-dimethyl-2-propan-2-ylbenzene;5-methoxy-1,3-dimethyl-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline is sourced from PubChem (CID 158134406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).