3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide
C225H350F3N47O6S2 — CID 158833475
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide
SMILESCC(C)c1cccc2nccn12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnn(C(=O)C2CC2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(CCO)c1.CCOC(n1cc(C(C)C)cn1)C(F)(F)F.CCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.COCCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)(C)C)nn1C.Cc1ccc(Cn2cc(C(C)C)cn2)cc1.Cc1ccc(Cn2nc(C)cc2C(C)C)cc1.Cc1cnc(C(C)C)cn1.Cc1nn(C)cc1C(C)C.O=S=O
InChIInChI=1S/C15H20N2.C14H18N2.C10H15F3N2O.C10H14N2O.C10H16N2.C10H12N2.C9H16N2O.C9H14N2.2C9H16N2.C8H14N2O.2C8H14N2.C8H12N2.2C8H14N2.3C8H11N.4C7H12N2.C7H10N2.C7H10S.C6H10N2.O2S/c1-11(2)15-9-13(4)16-17(15)10-14-7-5-12(3)6-8-14;1-11(2)14-8-15-16(10-14)9-13-6-4-12(3)5-7-13;1-4-16-9(10(11,12)13)15-6-8(5-14-15)7(2)3;1-7(2)9-5-11-12(6-9)10(13)8-3-4-8;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)8-5-10-11(6-8)9-3-4-9;1-7-6-8(9(2,3)4)10-11(7)5;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)8-5-9-10(6-8)3-4-11;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-5-9-7(3)4-10-8;2*1-4-10-6-8(5-9-10)7(2)3;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;3*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-3-2/h5-9,11H,10H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-7,9H,4H2,1-3H3;5-8H,3-4H2,1-2H3;5,7-9H,3-4,6H2,1-2H3;3-8H,1-2H3;6-8H,4-5H2,1-3H3;5-7,9H,3-4H2,1-2H3;6H,1-5H3;5-8H,1-4H3;5-7,11H,3-4H2,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;2*5-7H,4H2,1-3H3;3*3-7H,1-2H3;4*4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);
InChIKeyIXILQNGYAZJOGJ-UHFFFAOYSA-N
MW3930.73 g/mol
LogP54.46
Rot. Bonds44
About 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide
3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide (PubChem CID 158833475) has the molecular formula C225H350F3N47O6S2 and a molecular weight of 3930.73 g/mol. Its IUPAC name is 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide.
Molecular Properties
| Compound Name | 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide |
|---|---|
| PubChem CID | 158833475 |
| Molecular Formula | C225H350F3N47O6S2 |
| Molecular Weight | 3930.73 g/mol |
| Exact Mass | 3927.79 |
| IUPAC Name | 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide |
| SMILES | CC(C)c1cccc2nccn12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnn(C(=O)C2CC2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(CCO)c1.CCOC(n1cc(C(C)C)cn1)C(F)(F)F.CCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.COCCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)(C)C)nn1C.Cc1ccc(Cn2cc(C(C)C)cn2)cc1.Cc1ccc(Cn2nc(C)cc2C(C)C)cc1.Cc1cnc(C(C)C)cn1.Cc1nn(C)cc1C(C)C.O=S=O |
| InChI | InChI=1S/C15H20N2.C14H18N2.C10H15F3N2O.C10H14N2O.C10H16N2.C10H12N2.C9H16N2O.C9H14N2.2C9H16N2.C8H14N2O.2C8H14N2.C8H12N2.2C8H14N2.3C8H11N.4C7H12N2.C7H10N2.C7H10S.C6H10N2.O2S/c1-11(2)15-9-13(4)16-17(15)10-14-7-5-12(3)6-8-14;1-11(2)14-8-15-16(10-14)9-13-6-4-12(3)5-7-13;1-4-16-9(10(11,12)13)15-6-8(5-14-15)7(2)3;1-7(2)9-5-11-12(6-9)10(13)8-3-4-8;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)8-5-10-11(6-8)9-3-4-9;1-7-6-8(9(2,3)4)10-11(7)5;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)8-5-9-10(6-8)3-4-11;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-5-9-7(3)4-10-8;2*1-4-10-6-8(5-9-10)7(2)3;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;3*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-3-2/h5-9,11H,10H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-7,9H,4H2,1-3H3;5-8H,3-4H2,1-2H3;5,7-9H,3-4,6H2,1-2H3;3-8H,1-2H3;6-8H,4-5H2,1-3H3;5-7,9H,3-4H2,1-2H3;6H,1-5H3;5-8H,1-4H3;5-7,11H,3-4H2,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;2*5-7H,4H2,1-3H3;3*3-7H,1-2H3;4*4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8); |
| InChIKey | IXILQNGYAZJOGJ-UHFFFAOYSA-N |
| XLogP | 54.46 |
| TPSA | 546.87 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 283 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3930.73 |
| LogP ≤ 5 | 54.46 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 53 |
Frequently Asked Questions
What is the IUPAC name of 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide?
The IUPAC name of 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide (CID 158833475) is 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide.
What is the SMILES notation for 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide?
The canonical SMILES for 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide is CC(C)c1cccc2nccn12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnn(C(=O)C2CC2)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(CCO)c1.CCOC(n1cc(C(C)C)cn1)C(F)(F)F.CCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.COCCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)(C)C)nn1C.Cc1ccc(Cn2cc(C(C)C)cn2)cc1.Cc1ccc(Cn2nc(C)cc2C(C)C)cc1.Cc1cnc(C(C)C)cn1.Cc1nn(C)cc1C(C)C.O=S=O.
What is the InChIKey of 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide?
The InChIKey is IXILQNGYAZJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C14H18N2.C10H15F3N2O.C10H14N2O.C10H16N2.C10H12N2.C9H16N2O.C9H14N2.2C9H16N2.C8H14N2O.2C8H14N2.C8H12N2.2C8H14N2.3C8H11N.4C7H12N2.C7H10N2.C7H10S.C6H10N2.O2S/c1-11(2)15-9-13(4)16-17(15)10-14-7-5-12(3)6-8-14;1-11(2)14-8-15-16(10-14)9-13-6-4-12(3)5-7-13;1-4-16-9(10(11,12)13)15-6-8(5-14-15)7(2)3;1-7(2)9-5-11-12(6-9)10(13)8-3-4-8;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)8-5-10-11(6-8)9-3-4-9;1-7-6-8(9(2,3)4)10-11(7)5;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)8-5-9-10(6-8)3-4-11;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-5-9-7(3)4-10-8;2*1-4-10-6-8(5-9-10)7(2)3;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;3*1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-3-2/h5-9,11H,10H2,1-4H3;4-8,10-11H,9H2,1-3H3;5-7,9H,4H2,1-3H3;5-8H,3-4H2,1-2H3;5,7-9H,3-4,6H2,1-2H3;3-8H,1-2H3;6-8H,4-5H2,1-3H3;5-7,9H,3-4H2,1-2H3;6H,1-5H3;5-8H,1-4H3;5-7,11H,3-4H2,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;2*5-7H,4H2,1-3H3;3*3-7H,1-2H3;4*4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);.
What are the key properties of 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide?
3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide has a molecular weight of 3930.73 g/mol, XLogP of 54.46, 44 rotatable bonds, 2 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,5-dimethylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;cyclopropyl-(4-propan-2-ylpyrazol-1-yl)methanone;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1-(1-ethoxy-2,2,2-trifluoroethyl)-4-propan-2-ylpyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);1-(2-methoxyethyl)-4-propan-2-ylpyrazole;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-[(4-methylphenyl)methyl]-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyrazine;tris(1-methyl-4-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;sulfur dioxide is sourced from PubChem (CID 158833475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158833475 — identifiers, structure, computed properties (public domain)
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