1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one

C133H191ClF8N14O8S2 — CID 162059230

IUPAC1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one
SMILESC=C(CCCn1cccn1)C(C)C.C=C(CCc1cc(C)nn1C)C(C)C.C=C(CCc1ccccc1C(F)(F)F)C(C)C.C=C(CCc1ccnn1CC(F)(F)F)C(C)C.C=C(CCc1scnc1C)C(C)C.CC(C)C(=O)CCC(C)(F)F.CC(C)C(=O)CCc1ccc(Cl)cc1.CC(C)C(=O)CCc1ccco1.CC(C)C(=O)CCc1nccs1.CC(C)C(=O)Cc1cn2ccccc2n1.CC(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C.CC(C)C(=O)[C@H]1C[C@@H]1c1ccnn1C
InChIInChI=1S/C14H17F3.C12H15ClO.C12H17F3N2.C12H14N2O.C12H20N2.2C11H16N2O.C11H18N2.C11H17NS.C10H14O2.C9H13NOS.C8H14F2O/c1-10(2)11(3)8-9-12-6-4-5-7-13(12)14(15,16)17;1-9(2)12(14)8-5-10-3-6-11(13)7-4-10;1-9(2)10(3)4-5-11-6-7-16-17(11)8-12(13,14)15;1-9(2)11(15)7-10-8-14-6-4-3-5-12(14)13-10;1-9(2)10(3)6-7-12-8-11(4)13-14(12)5;2*1-7(2)11(14)9-6-8(9)10-4-5-12-13(10)3;1-10(2)11(3)6-4-8-13-9-5-7-12-13;1-8(2)9(3)5-6-11-10(4)12-7-13-11;1-8(2)10(11)6-5-9-4-3-7-12-9;1-7(2)8(11)3-4-9-10-5-6-12-9;1-6(2)7(11)4-5-8(3,9)10/h4-7,10H,3,8-9H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;3-6,8-9H,7H2,1-2H3;8-9H,3,6-7H2,1-2,4-5H3;2*4-5,7-9H,6H2,1-3H3;5,7,9-10H,3-4,6,8H2,1-2H3;7-8H,3,5-6H2,1-2,4H3;3-4,7-8H,5-6H2,1-2H3;5-7H,3-4H2,1-2H3;6H,4-5H2,1-3H3/t;;;;;2*8-,9-;;;;;/m.....10...../s1
InChIKeyYZPHZWVBQLYZFE-RGWOUPQNSA-N
MW2365.65 g/mol
LogP34.27
Rot. Bonds47

About 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one

1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one (PubChem CID 162059230) has the molecular formula C133H191ClF8N14O8S2 and a molecular weight of 2365.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one
PubChem CID162059230
Molecular FormulaC133H191ClF8N14O8S2
Molecular Weight2365.65 g/mol
Exact Mass2363.40
IUPAC Name1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one
SMILESC=C(CCCn1cccn1)C(C)C.C=C(CCc1cc(C)nn1C)C(C)C.C=C(CCc1ccccc1C(F)(F)F)C(C)C.C=C(CCc1ccnn1CC(F)(F)F)C(C)C.C=C(CCc1scnc1C)C(C)C.CC(C)C(=O)CCC(C)(F)F.CC(C)C(=O)CCc1ccc(Cl)cc1.CC(C)C(=O)CCc1ccco1.CC(C)C(=O)CCc1nccs1.CC(C)C(=O)Cc1cn2ccccc2n1.CC(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C.CC(C)C(=O)[C@H]1C[C@@H]1c1ccnn1C
InChIInChI=1S/C14H17F3.C12H15ClO.C12H17F3N2.C12H14N2O.C12H20N2.2C11H16N2O.C11H18N2.C11H17NS.C10H14O2.C9H13NOS.C8H14F2O/c1-10(2)11(3)8-9-12-6-4-5-7-13(12)14(15,16)17;1-9(2)12(14)8-5-10-3-6-11(13)7-4-10;1-9(2)10(3)4-5-11-6-7-16-17(11)8-12(13,14)15;1-9(2)11(15)7-10-8-14-6-4-3-5-12(14)13-10;1-9(2)10(3)6-7-12-8-11(4)13-14(12)5;2*1-7(2)11(14)9-6-8(9)10-4-5-12-13(10)3;1-10(2)11(3)6-4-8-13-9-5-7-12-13;1-8(2)9(3)5-6-11-10(4)12-7-13-11;1-8(2)10(11)6-5-9-4-3-7-12-9;1-7(2)8(11)3-4-9-10-5-6-12-9;1-6(2)7(11)4-5-8(3,9)10/h4-7,10H,3,8-9H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;3-6,8-9H,7H2,1-2H3;8-9H,3,6-7H2,1-2,4-5H3;2*4-5,7-9H,6H2,1-3H3;5,7,9-10H,3-4,6,8H2,1-2H3;7-8H,3,5-6H2,1-2,4H3;3-4,7-8H,5-6H2,1-2H3;5-7H,3-4H2,1-2H3;6H,4-5H2,1-3H3/t;;;;;2*8-,9-;;;;;/m.....10...../s1
InChIKeyYZPHZWVBQLYZFE-RGWOUPQNSA-N
XLogP34.27
TPSA264.81 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds47
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002365.65
LogP ≤ 534.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one with MolForge

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Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-4-methylpentan-3-one;1-cyclopentyl-4-methylpentan-3-one;1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(5-methyl-4-methylidenehexyl)indazole;1-(5-methyl-4-methylidenehexyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;2-methyl-1-[(1R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one
CID 160360895
1-(4-chlorophenyl)-4-methylpentan-3-one;1-cyclopentyl-4-methylpentan-3-one;1-cyclopropyl-4-methylpentan-3-one;1-(2,5-dimethylpyrazol-3-yl)-4-methylpentan-3-one;N-ethyl-N,2-dimethylpropanamide;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;(2-methylpyrazol-3-yl)methyl 2-methylpropanoate;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen
CID 161281606
1-(4-chlorophenyl)-4-methylpentan-3-one;1-cyclopentyl-4-methylpentan-3-one;1-cyclopropyl-4-methylpentan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;2-(3-methyl-2-methylidenebutyl)-2H-imidazo[1,2-a]pyridin-4-ium;1-(5-methyl-4-methylidenehexyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;2-methyl-1-[(1R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one
CID 161797601
1-(4-chlorophenyl)-4-methylpentan-3-one;1-cyclopentyl-4-methylpentan-3-one;1-cyclopropyl-4-methylpentan-3-one;1-(2,5-dimethylpyrazol-3-yl)-4-methylpentan-3-one;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-N-(pyrazin-2-ylmethyl)propanamide;2-methyl-6-pyrazol-1-ylhexan-3-one;2-methyl-N-(pyridin-4-ylmethyl)propanamide;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one;4-methyl-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pentan-3-one;4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-3-one;molecular hydrogen
CID 167641015

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one?
The IUPAC name of 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one (CID 162059230) is 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one is C=C(CCCn1cccn1)C(C)C.C=C(CCc1cc(C)nn1C)C(C)C.C=C(CCc1ccccc1C(F)(F)F)C(C)C.C=C(CCc1ccnn1CC(F)(F)F)C(C)C.C=C(CCc1scnc1C)C(C)C.CC(C)C(=O)CCC(C)(F)F.CC(C)C(=O)CCc1ccc(Cl)cc1.CC(C)C(=O)CCc1ccco1.CC(C)C(=O)CCc1nccs1.CC(C)C(=O)Cc1cn2ccccc2n1.CC(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C.CC(C)C(=O)[C@H]1C[C@@H]1c1ccnn1C.
What is the InChIKey of 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one?
The InChIKey is YZPHZWVBQLYZFE-RGWOUPQNSA-N. The full InChI is InChI=1S/C14H17F3.C12H15ClO.C12H17F3N2.C12H14N2O.C12H20N2.2C11H16N2O.C11H18N2.C11H17NS.C10H14O2.C9H13NOS.C8H14F2O/c1-10(2)11(3)8-9-12-6-4-5-7-13(12)14(15,16)17;1-9(2)12(14)8-5-10-3-6-11(13)7-4-10;1-9(2)10(3)4-5-11-6-7-16-17(11)8-12(13,14)15;1-9(2)11(15)7-10-8-14-6-4-3-5-12(14)13-10;1-9(2)10(3)6-7-12-8-11(4)13-14(12)5;2*1-7(2)11(14)9-6-8(9)10-4-5-12-13(10)3;1-10(2)11(3)6-4-8-13-9-5-7-12-13;1-8(2)9(3)5-6-11-10(4)12-7-13-11;1-8(2)10(11)6-5-9-4-3-7-12-9;1-7(2)8(11)3-4-9-10-5-6-12-9;1-6(2)7(11)4-5-8(3,9)10/h4-7,10H,3,8-9H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;3-6,8-9H,7H2,1-2H3;8-9H,3,6-7H2,1-2,4-5H3;2*4-5,7-9H,6H2,1-3H3;5,7,9-10H,3-4,6,8H2,1-2H3;7-8H,3,5-6H2,1-2,4H3;3-4,7-8H,5-6H2,1-2H3;5-7H,3-4H2,1-2H3;6H,4-5H2,1-3H3/t;;;;;2*8-,9-;;;;;/m.....10...../s1.
What are the key properties of 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one?
1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one has a molecular weight of 2365.65 g/mol, XLogP of 34.27, 47 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methylpentan-3-one;6,6-difluoro-2-methylheptan-3-one;1,3-dimethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;1-(furan-2-yl)-4-methylpentan-3-one;1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-one;1-(5-methyl-4-methylidenehexyl)pyrazole;5-(4-methyl-3-methylidenepentyl)-1-(2,2,2-trifluoroethyl)pyrazole;1-(4-methyl-3-methylidenepentyl)-2-(trifluoromethyl)benzene;4-methyl-5-(4-methyl-3-methylidenepentyl)-1,3-thiazole;2-methyl-1-[(1R,2R)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;2-methyl-1-[(1S,2S)-2-(2-methylpyrazol-3-yl)cyclopropyl]propan-1-one;4-methyl-1-(1,3-thiazol-2-yl)pentan-3-one is sourced from PubChem (CID 162059230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).