1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one

C165H196F11N15O11S — CID 162176165

IUPAC1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)CNc1ccccc1.CC(C)(C)CC(=O)c1ccc(-c2ccccc2)cc1F.CC(C)(C)CC(=O)c1cccc(-c2ccccc2)c1F.CC(C)(C)CC(=O)c1ccccc1.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1N.CC(C)(C)CC(=O)c1ncc(-c2ccccc2)s1.Cc1c(C(=O)CC(C)(C)C)cnn1-c1ccccc1.Cn1ncc(C(=O)CC(C)(C)C)c1C(F)(F)F
InChIInChI=1S/2C18H19FO.2C16H17F3N2O.C16H20N2O.C15H19N3O.C15H18N2O.C15H17NOS.C13H19NO.C12H16O.C11H15F3N2O/c1-18(2,3)12-16(20)15-11-7-10-14(17(15)19)13-8-5-4-6-9-13;1-18(2,3)12-17(20)15-10-9-14(11-16(15)19)13-7-5-4-6-8-13;2*1-15(2,3)9-13(22)12-10-20-21(14(12)16(17,18)19)11-7-5-4-6-8-11;1-12-14(15(19)10-16(2,3)4)11-17-18(12)13-8-6-5-7-9-13;1-15(2,3)9-13(19)12-10-17-18(14(12)16)11-7-5-4-6-8-11;1-15(2,3)9-14(18)12-10-16-17(11-12)13-7-5-4-6-8-13;1-15(2,3)9-12(17)14-16-10-13(18-14)11-7-5-4-6-8-11;1-13(2,3)9-12(15)10-14-11-7-5-4-6-8-11;1-12(2,3)9-11(13)10-7-5-4-6-8-10;1-10(2,3)5-8(17)7-6-15-16(4)9(7)11(12,13)14/h2*4-11H,12H2,1-3H3;2*4-8,10H,9H2,1-3H3;5-9,11H,10H2,1-4H3;4-8,10H,9,16H2,1-3H3;4-8,10-11H,9H2,1-3H3;4-8,10H,9H2,1-3H3;4-8,14H,9-10H2,1-3H3;4-8H,9H2,1-3H3;6H,5H2,1-4H3
InChIKeyZOKSTTHPXUBLRU-UHFFFAOYSA-N
MW2806.52 g/mol
LogP43.50
Rot. Bonds32

About 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one

1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one (PubChem CID 162176165) has the molecular formula C165H196F11N15O11S and a molecular weight of 2806.52 g/mol. Its IUPAC name is 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one
PubChem CID162176165
Molecular FormulaC165H196F11N15O11S
Molecular Weight2806.52 g/mol
Exact Mass2804.48
IUPAC Name1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)CNc1ccccc1.CC(C)(C)CC(=O)c1ccc(-c2ccccc2)cc1F.CC(C)(C)CC(=O)c1cccc(-c2ccccc2)c1F.CC(C)(C)CC(=O)c1ccccc1.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1N.CC(C)(C)CC(=O)c1ncc(-c2ccccc2)s1.Cc1c(C(=O)CC(C)(C)C)cnn1-c1ccccc1.Cn1ncc(C(=O)CC(C)(C)C)c1C(F)(F)F
InChIInChI=1S/2C18H19FO.2C16H17F3N2O.C16H20N2O.C15H19N3O.C15H18N2O.C15H17NOS.C13H19NO.C12H16O.C11H15F3N2O/c1-18(2,3)12-16(20)15-11-7-10-14(17(15)19)13-8-5-4-6-9-13;1-18(2,3)12-17(20)15-10-9-14(11-16(15)19)13-7-5-4-6-8-13;2*1-15(2,3)9-13(22)12-10-20-21(14(12)16(17,18)19)11-7-5-4-6-8-11;1-12-14(15(19)10-16(2,3)4)11-17-18(12)13-8-6-5-7-9-13;1-15(2,3)9-13(19)12-10-17-18(14(12)16)11-7-5-4-6-8-11;1-15(2,3)9-14(18)12-10-16-17(11-12)13-7-5-4-6-8-13;1-15(2,3)9-12(17)14-16-10-13(18-14)11-7-5-4-6-8-11;1-13(2,3)9-12(15)10-14-11-7-5-4-6-8-11;1-12(2,3)9-11(13)10-7-5-4-6-8-10;1-10(2,3)5-8(17)7-6-15-16(4)9(7)11(12,13)14/h2*4-11H,12H2,1-3H3;2*4-8,10H,9H2,1-3H3;5-9,11H,10H2,1-4H3;4-8,10H,9,16H2,1-3H3;4-8,10-11H,9H2,1-3H3;4-8,10H,9H2,1-3H3;4-8,14H,9-10H2,1-3H3;4-8H,9H2,1-3H3;6H,5H2,1-4H3
InChIKeyZOKSTTHPXUBLRU-UHFFFAOYSA-N
XLogP43.50
TPSA345.63 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds32
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002806.52
LogP ≤ 543.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one (CID 162176165) is 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)CNc1ccccc1.CC(C)(C)CC(=O)c1ccc(-c2ccccc2)cc1F.CC(C)(C)CC(=O)c1cccc(-c2ccccc2)c1F.CC(C)(C)CC(=O)c1ccccc1.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1N.CC(C)(C)CC(=O)c1ncc(-c2ccccc2)s1.Cc1c(C(=O)CC(C)(C)C)cnn1-c1ccccc1.Cn1ncc(C(=O)CC(C)(C)C)c1C(F)(F)F.
What is the InChIKey of 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one?
The InChIKey is ZOKSTTHPXUBLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H19FO.2C16H17F3N2O.C16H20N2O.C15H19N3O.C15H18N2O.C15H17NOS.C13H19NO.C12H16O.C11H15F3N2O/c1-18(2,3)12-16(20)15-11-7-10-14(17(15)19)13-8-5-4-6-9-13;1-18(2,3)12-17(20)15-10-9-14(11-16(15)19)13-7-5-4-6-8-13;2*1-15(2,3)9-13(22)12-10-20-21(14(12)16(17,18)19)11-7-5-4-6-8-11;1-12-14(15(19)10-16(2,3)4)11-17-18(12)13-8-6-5-7-9-13;1-15(2,3)9-13(19)12-10-17-18(14(12)16)11-7-5-4-6-8-11;1-15(2,3)9-14(18)12-10-16-17(11-12)13-7-5-4-6-8-13;1-15(2,3)9-12(17)14-16-10-13(18-14)11-7-5-4-6-8-11;1-13(2,3)9-12(15)10-14-11-7-5-4-6-8-11;1-12(2,3)9-11(13)10-7-5-4-6-8-10;1-10(2,3)5-8(17)7-6-15-16(4)9(7)11(12,13)14/h2*4-11H,12H2,1-3H3;2*4-8,10H,9H2,1-3H3;5-9,11H,10H2,1-4H3;4-8,10H,9,16H2,1-3H3;4-8,10-11H,9H2,1-3H3;4-8,10H,9H2,1-3H3;4-8,14H,9-10H2,1-3H3;4-8H,9H2,1-3H3;6H,5H2,1-4H3.
What are the key properties of 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one?
1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one has a molecular weight of 2806.52 g/mol, XLogP of 43.50, 32 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-anilino-4,4-dimethylpentan-2-one;3,3-dimethyl-1-(5-methyl-1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-phenylbutan-1-one;3,3-dimethyl-1-(1-phenylpyrazol-4-yl)butan-1-one;3,3-dimethyl-1-(5-phenyl-1,3-thiazol-2-yl)butan-1-one;bis(3,3-dimethyl-1-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one);1-(2-fluoro-3-phenylphenyl)-3,3-dimethylbutan-1-one;1-(2-fluoro-4-phenylphenyl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 162176165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).