4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole

C131H208F2N14O11 — CID 162132612

IUPAC4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole
SMILESCOc1cc(C(=O)CC2CCN(C(C)C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C3COC3)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C3COC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.COc1cc(N2CCOCC2)ccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C21H30FNO3.C21H32FNO2.C21H31NO3.C16H26N2O.C15H23NO2.C11H20N2.2C9H16N2.C8H14N2/c1-21(2,3)17-11-18(22)16(10-20(17)25-4)19(24)9-14-5-7-23(8-6-14)15-12-26-13-15;1-14(2)23-9-7-15(8-10-23)11-19(24)16-12-20(25-6)17(13-18(16)22)21(3,4)5;1-21(2,3)18-6-5-16(12-20(18)24-4)19(23)11-15-7-9-22(10-8-15)17-13-25-14-17;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;1-15(2,3)13-6-5-12(11-14(13)17-4)16-7-9-18-10-8-16;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-7-8(9(2,3)4)6-11(5)10-7;1-7-8(9(2,3)4)6-10-11(7)5;1-8(2,3)7-5-9-10(4)6-7/h10-11,14-15H,5-9,12-13H2,1-4H3;12-15H,7-11H2,1-6H3;5-6,12,15,17H,7-11,13-14H2,1-4H3;6-7,12H,8-11H2,1-5H3;5-6,11H,7-10H2,1-4H3;7-8H,1-6H3;2*6H,1-5H3;5-6H,1-4H3
InChIKeyZIWADUOXOKDPJK-UHFFFAOYSA-N
MW2193.19 g/mol
LogP26.73
Rot. Bonds20

About 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole

4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole (PubChem CID 162132612) has the molecular formula C131H208F2N14O11 and a molecular weight of 2193.19 g/mol. Its IUPAC name is 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole.

Molecular Properties

Compound Name4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole
PubChem CID162132612
Molecular FormulaC131H208F2N14O11
Molecular Weight2193.19 g/mol
Exact Mass2191.61
IUPAC Name4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole
SMILESCOc1cc(C(=O)CC2CCN(C(C)C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C3COC3)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C3COC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.COc1cc(N2CCOCC2)ccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C21H30FNO3.C21H32FNO2.C21H31NO3.C16H26N2O.C15H23NO2.C11H20N2.2C9H16N2.C8H14N2/c1-21(2,3)17-11-18(22)16(10-20(17)25-4)19(24)9-14-5-7-23(8-6-14)15-12-26-13-15;1-14(2)23-9-7-15(8-10-23)11-19(24)16-12-20(25-6)17(13-18(16)22)21(3,4)5;1-21(2,3)18-6-5-16(12-20(18)24-4)19(23)11-15-7-9-22(10-8-15)17-13-25-14-17;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;1-15(2,3)13-6-5-12(11-14(13)17-4)16-7-9-18-10-8-16;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-7-8(9(2,3)4)6-11(5)10-7;1-7-8(9(2,3)4)6-10-11(7)5;1-8(2,3)7-5-9-10(4)6-7/h10-11,14-15H,5-9,12-13H2,1-4H3;12-15H,7-11H2,1-6H3;5-6,12,15,17H,7-11,13-14H2,1-4H3;6-7,12H,8-11H2,1-5H3;5-6,11H,7-10H2,1-4H3;7-8H,1-6H3;2*6H,1-5H3;5-6H,1-4H3
InChIKeyZIWADUOXOKDPJK-UHFFFAOYSA-N
XLogP26.73
TPSA215.77 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms158
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002193.19
LogP ≤ 526.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole?
The IUPAC name of 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole (CID 162132612) is 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole.
What is the SMILES notation for 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole?
The canonical SMILES for 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole is COc1cc(C(=O)CC2CCN(C(C)C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C3COC3)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C3COC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.COc1cc(N2CCOCC2)ccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole?
The InChIKey is ZIWADUOXOKDPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO3.C21H32FNO2.C21H31NO3.C16H26N2O.C15H23NO2.C11H20N2.2C9H16N2.C8H14N2/c1-21(2,3)17-11-18(22)16(10-20(17)25-4)19(24)9-14-5-7-23(8-6-14)15-12-26-13-15;1-14(2)23-9-7-15(8-10-23)11-19(24)16-12-20(25-6)17(13-18(16)22)21(3,4)5;1-21(2,3)18-6-5-16(12-20(18)24-4)19(23)11-15-7-9-22(10-8-15)17-13-25-14-17;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;1-15(2,3)13-6-5-12(11-14(13)17-4)16-7-9-18-10-8-16;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-7-8(9(2,3)4)6-11(5)10-7;1-7-8(9(2,3)4)6-10-11(7)5;1-8(2,3)7-5-9-10(4)6-7/h10-11,14-15H,5-9,12-13H2,1-4H3;12-15H,7-11H2,1-6H3;5-6,12,15,17H,7-11,13-14H2,1-4H3;6-7,12H,8-11H2,1-5H3;5-6,11H,7-10H2,1-4H3;7-8H,1-6H3;2*6H,1-5H3;5-6H,1-4H3.
What are the key properties of 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole?
4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole has a molecular weight of 2193.19 g/mol, XLogP of 26.73, 20 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole is sourced from PubChem (CID 162132612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).