1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine

C166H257F2N29O5S5 — CID 159611635

IUPAC1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine
SMILESCC(C)C1=CCC=N1.CC(C)c1cc(C2CC2)no1.CC(C)c1cccc(F)c1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(F)c1.CC(C)c1cnc(C2CC2)s1.CC(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1csc(CN2CCCCC2)c1.CC(C)c1nccs1.CC(C)c1noc(C(C)C)n1.CC(C)n1cnc(C2CC2)n1.CC1=NC(C(C)C)=C(C)C1.CCCn1cc(C(C)C)cn1.CCc1noc(C(C)C)n1.CCn1nc(C)cc1C.CCn1ncc(C)n1.Cc1ccc(C(C)C)s1.Cc1cnn(Cc2ccccc2)c1.Cc1csc(C(C)C)c1.Cc1ncc(C(C)C)o1
InChIInChI=1S/C13H21NS.C12H21N3O.C11H12N2.C9H11F.C9H16N2.C9H13NO.C9H13NS.C9H15N.C8H10FN.C8H13N3.C8H14N2O.2C8H12S.C7H12N2O.C7H12N2.C7H11NO.C7H11N.C6H10N2.C6H9NS.C5H9N3/c1-11(2)12-8-13(15-10-12)9-14-6-4-3-5-7-14;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-7(2)8-4-3-5-9(10)6-8;1-4-5-11-7-9(6-10-11)8(2)3;1-6(2)9-5-8(10-11-9)7-3-4-7;1-6(2)8-5-10-9(11-8)7-3-4-7;1-6(2)9-7(3)5-8(4)10-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)11-5-9-8(10-11)7-3-4-7;1-5(2)7-9-8(6(3)4)11-10-7;1-6(2)8-4-7(3)5-9-8;1-6(2)8-5-4-7(3)9-8;1-4-6-8-7(5(2)3)10-9-6;1-4-9-7(3)5-6(2)8-9;1-5(2)7-4-8-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-3-8-6-4-5(2)7-8/h8,10-11H,3-7,9H2,1-2H3;9-11H,3-8H2,1-2H3;2-8H,9H2,1H3;3-7H,1-2H3;6-8H,4-5H2,1-3H3;2*5-7H,3-4H2,1-2H3;6H,5H2,1-4H3;3-6H,1-2H3;5-7H,3-4H2,1-2H3;5-6H,1-4H3;2*4-6H,1-3H3;5H,4H2,1-3H3;5H,4H2,1-3H3;4-5H,1-3H3;4-6H,3H2,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;4H,3H2,1-2H3
InChIKeyMMTNICFQFGFRTD-UHFFFAOYSA-N
MW2937.41 g/mol
LogP45.95
Rot. Bonds33

About 1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine

1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine (PubChem CID 159611635) has the molecular formula C166H257F2N29O5S5 and a molecular weight of 2937.41 g/mol. Its IUPAC name is 1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine
PubChem CID159611635
Molecular FormulaC166H257F2N29O5S5
Molecular Weight2937.41 g/mol
Exact Mass2934.93
IUPAC Name1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine
SMILESCC(C)C1=CCC=N1.CC(C)c1cc(C2CC2)no1.CC(C)c1cccc(F)c1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(F)c1.CC(C)c1cnc(C2CC2)s1.CC(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1csc(CN2CCCCC2)c1.CC(C)c1nccs1.CC(C)c1noc(C(C)C)n1.CC(C)n1cnc(C2CC2)n1.CC1=NC(C(C)C)=C(C)C1.CCCn1cc(C(C)C)cn1.CCc1noc(C(C)C)n1.CCn1nc(C)cc1C.CCn1ncc(C)n1.Cc1ccc(C(C)C)s1.Cc1cnn(Cc2ccccc2)c1.Cc1csc(C(C)C)c1.Cc1ncc(C(C)C)o1
InChIInChI=1S/C13H21NS.C12H21N3O.C11H12N2.C9H11F.C9H16N2.C9H13NO.C9H13NS.C9H15N.C8H10FN.C8H13N3.C8H14N2O.2C8H12S.C7H12N2O.C7H12N2.C7H11NO.C7H11N.C6H10N2.C6H9NS.C5H9N3/c1-11(2)12-8-13(15-10-12)9-14-6-4-3-5-7-14;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-7(2)8-4-3-5-9(10)6-8;1-4-5-11-7-9(6-10-11)8(2)3;1-6(2)9-5-8(10-11-9)7-3-4-7;1-6(2)8-5-10-9(11-8)7-3-4-7;1-6(2)9-7(3)5-8(4)10-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)11-5-9-8(10-11)7-3-4-7;1-5(2)7-9-8(6(3)4)11-10-7;1-6(2)8-4-7(3)5-9-8;1-6(2)8-5-4-7(3)9-8;1-4-6-8-7(5(2)3)10-9-6;1-4-9-7(3)5-6(2)8-9;1-5(2)7-4-8-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-3-8-6-4-5(2)7-8/h8,10-11H,3-7,9H2,1-2H3;9-11H,3-8H2,1-2H3;2-8H,9H2,1H3;3-7H,1-2H3;6-8H,4-5H2,1-3H3;2*5-7H,3-4H2,1-2H3;6H,5H2,1-4H3;3-6H,1-2H3;5-7H,3-4H2,1-2H3;5-6H,1-4H3;2*4-6H,1-3H3;5H,4H2,1-3H3;5H,4H2,1-3H3;4-5H,1-3H3;4-6H,3H2,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;4H,3H2,1-2H3
InChIKeyMMTNICFQFGFRTD-UHFFFAOYSA-N
XLogP45.95
TPSA370.38 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms207
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002937.41
LogP ≤ 545.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine (CID 159611635) is 1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine is CC(C)C1=CCC=N1.CC(C)c1cc(C2CC2)no1.CC(C)c1cccc(F)c1.CC(C)c1ccn[nH]1.CC(C)c1ccnc(F)c1.CC(C)c1cnc(C2CC2)s1.CC(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1csc(CN2CCCCC2)c1.CC(C)c1nccs1.CC(C)c1noc(C(C)C)n1.CC(C)n1cnc(C2CC2)n1.CC1=NC(C(C)C)=C(C)C1.CCCn1cc(C(C)C)cn1.CCc1noc(C(C)C)n1.CCn1nc(C)cc1C.CCn1ncc(C)n1.Cc1ccc(C(C)C)s1.Cc1cnn(Cc2ccccc2)c1.Cc1csc(C(C)C)c1.Cc1ncc(C(C)C)o1.
What is the InChIKey of 1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine?
The InChIKey is MMTNICFQFGFRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS.C12H21N3O.C11H12N2.C9H11F.C9H16N2.C9H13NO.C9H13NS.C9H15N.C8H10FN.C8H13N3.C8H14N2O.2C8H12S.C7H12N2O.C7H12N2.C7H11NO.C7H11N.C6H10N2.C6H9NS.C5H9N3/c1-11(2)12-8-13(15-10-12)9-14-6-4-3-5-7-14;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-7(2)8-4-3-5-9(10)6-8;1-4-5-11-7-9(6-10-11)8(2)3;1-6(2)9-5-8(10-11-9)7-3-4-7;1-6(2)8-5-10-9(11-8)7-3-4-7;1-6(2)9-7(3)5-8(4)10-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)11-5-9-8(10-11)7-3-4-7;1-5(2)7-9-8(6(3)4)11-10-7;1-6(2)8-4-7(3)5-9-8;1-6(2)8-5-4-7(3)9-8;1-4-6-8-7(5(2)3)10-9-6;1-4-9-7(3)5-6(2)8-9;1-5(2)7-4-8-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-3-8-6-4-5(2)7-8/h8,10-11H,3-7,9H2,1-2H3;9-11H,3-8H2,1-2H3;2-8H,9H2,1H3;3-7H,1-2H3;6-8H,4-5H2,1-3H3;2*5-7H,3-4H2,1-2H3;6H,5H2,1-4H3;3-6H,1-2H3;5-7H,3-4H2,1-2H3;5-6H,1-4H3;2*4-6H,1-3H3;5H,4H2,1-3H3;5H,4H2,1-3H3;4-5H,1-3H3;4-6H,3H2,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;4H,3H2,1-2H3.
What are the key properties of 1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine?
1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine has a molecular weight of 2937.41 g/mol, XLogP of 45.95, 33 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 159611635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).