5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole

C232H352Cl4N36O4S2 — CID 159871920

IUPAC5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.C.C.CC(C)C1=NCC=C1.CC(C)c1cc(-c2ccccc2)nn1C.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccnn1-c1ccccc1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnco1.CC(C)c1nncs1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)n(C)n1.Cc1nn(-c2ccccc2)c(C)c1C(C)C.Cc1nn(C)c(Cl)c1C(C)C
InChIInChI=1S/C14H18N2.C13H16N2.2C13H20N2.C12H14N2.2C9H11Cl.C9H13N.C9H12.C8H13ClN2.C8H10ClN.C8H14N2.3C8H11N.2C7H10N2.2C7H11N.C7H10O.2C6H10N2.2C6H9NO.C6H9NS.C5H8N2O.C5H8N2S.8CH4/c1-10(2)14-11(3)15-16(12(14)4)13-8-6-5-7-9-13;1-10(2)13-9-12(14-15(13)3)11-7-5-4-6-8-11;2*1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-10(2)12-8-9-13-14(12)11-6-4-3-5-7-11;2*1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-6(3)10-11(4)8(7)9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;2*1-4(2)5-7-6-3-8-5;;;;;;;;/h5-10H,1-4H3;4-10H,1-3H3;2*6-7,10-11H,3-5,8-9H2,1-2H3;3-10H,1-2H3;2*3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;5H,1-4H3;3-6H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;2*3-4H,1-2H3;8*1H4
InChIKeyNSLPJGBEEJFXNI-UHFFFAOYSA-N
MW3915.56 g/mol
LogP68.56
Rot. Bonds32

About 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole

5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole (PubChem CID 159871920) has the molecular formula C232H352Cl4N36O4S2 and a molecular weight of 3915.56 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
PubChem CID159871920
Molecular FormulaC232H352Cl4N36O4S2
Molecular Weight3915.56 g/mol
Exact Mass3910.66
IUPAC Name5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.C.C.CC(C)C1=NCC=C1.CC(C)c1cc(-c2ccccc2)nn1C.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccnn1-c1ccccc1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnco1.CC(C)c1nncs1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)n(C)n1.Cc1nn(-c2ccccc2)c(C)c1C(C)C.Cc1nn(C)c(Cl)c1C(C)C
InChIInChI=1S/C14H18N2.C13H16N2.2C13H20N2.C12H14N2.2C9H11Cl.C9H13N.C9H12.C8H13ClN2.C8H10ClN.C8H14N2.3C8H11N.2C7H10N2.2C7H11N.C7H10O.2C6H10N2.2C6H9NO.C6H9NS.C5H8N2O.C5H8N2S.8CH4/c1-10(2)14-11(3)15-16(12(14)4)13-8-6-5-7-9-13;1-10(2)13-9-12(14-15(13)3)11-7-5-4-6-8-11;2*1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-10(2)12-8-9-13-14(12)11-6-4-3-5-7-11;2*1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-6(3)10-11(4)8(7)9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;2*1-4(2)5-7-6-3-8-5;;;;;;;;/h5-10H,1-4H3;4-10H,1-3H3;2*6-7,10-11H,3-5,8-9H2,1-2H3;3-10H,1-2H3;2*3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;5H,1-4H3;3-6H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;2*3-4H,1-2H3;8*1H4
InChIKeyNSLPJGBEEJFXNI-UHFFFAOYSA-N
XLogP68.56
TPSA465.67 Ų
H-Bond Donors3
H-Bond Acceptors39
Rotatable Bonds32
Heavy Atoms278
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003915.56
LogP ≤ 568.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole (CID 159871920) is 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is C.C.C.C.C.C.C.C.CC(C)C1=NCC=C1.CC(C)c1cc(-c2ccccc2)nn1C.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccnn1-c1ccccc1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnco1.CC(C)c1nncs1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)n(C)n1.Cc1nn(-c2ccccc2)c(C)c1C(C)C.Cc1nn(C)c(Cl)c1C(C)C.
What is the InChIKey of 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The InChIKey is NSLPJGBEEJFXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C13H16N2.2C13H20N2.C12H14N2.2C9H11Cl.C9H13N.C9H12.C8H13ClN2.C8H10ClN.C8H14N2.3C8H11N.2C7H10N2.2C7H11N.C7H10O.2C6H10N2.2C6H9NO.C6H9NS.C5H8N2O.C5H8N2S.8CH4/c1-10(2)14-11(3)15-16(12(14)4)13-8-6-5-7-9-13;1-10(2)13-9-12(14-15(13)3)11-7-5-4-6-8-11;2*1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-10(2)12-8-9-13-14(12)11-6-4-3-5-7-11;2*1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-6(3)10-11(4)8(7)9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;2*1-4(2)5-7-6-3-8-5;;;;;;;;/h5-10H,1-4H3;4-10H,1-3H3;2*6-7,10-11H,3-5,8-9H2,1-2H3;3-10H,1-2H3;2*3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;5H,1-4H3;3-6H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;2*3-4H,1-2H3;8*1H4.
What are the key properties of 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 3915.56 g/mol, XLogP of 68.56, 32 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159871920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).