cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

C218H403N25O2S3 — CID 158129735

IUPACcumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
SMILESCC(C)(C)Cn1cnnc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cc1nccs1.CC(C)Cn1cccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cnccn1.CC(C)c1ncccn1
InChIInChI=1S/C9H12.3C8H11N.2C8H12O.2C8H12S.C7H13N3.4C7H10N2.3C7H12N2.2C7H10N2.C7H11NS.19C4H10/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2,3)4-10-5-8-9-6-10;2*1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;2*1-6(2)5-7-3-4-8-9-7;1-7(2)6-9-5-3-4-8-9;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)5-7-8-3-4-9-7;19*1-4(2)3/h3-8H,1-2H3;3*3-7H,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;5-6H,4H2,1-3H3;4*3-6H,1-2H3;2*3-4,6H,5H2,1-2H3,(H,8,9);3-5,7H,6H2,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;19*4H,1-3H3
InChIKeyFSPVMYADAOKREE-UHFFFAOYSA-N
MW3503.00 g/mol
LogP69.88
Rot. Bonds27

About cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (PubChem CID 158129735) has the molecular formula C218H403N25O2S3 and a molecular weight of 3503.00 g/mol. Its IUPAC name is cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.

Molecular Properties

Compound Namecumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
PubChem CID158129735
Molecular FormulaC218H403N25O2S3
Molecular Weight3503.00 g/mol
Exact Mass3500.14
IUPAC Namecumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
SMILESCC(C)(C)Cn1cnnc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cc1nccs1.CC(C)Cn1cccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cnccn1.CC(C)c1ncccn1
InChIInChI=1S/C9H12.3C8H11N.2C8H12O.2C8H12S.C7H13N3.4C7H10N2.3C7H12N2.2C7H10N2.C7H11NS.19C4H10/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2,3)4-10-5-8-9-6-10;2*1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;2*1-6(2)5-7-3-4-8-9-7;1-7(2)6-9-5-3-4-8-9;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)5-7-8-3-4-9-7;19*1-4(2)3/h3-8H,1-2H3;3*3-7H,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;5-6H,4H2,1-3H3;4*3-6H,1-2H3;2*3-4,6H,5H2,1-2H3,(H,8,9);3-5,7H,6H2,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;19*4H,1-3H3
InChIKeyFSPVMYADAOKREE-UHFFFAOYSA-N
XLogP69.88
TPSA338.41 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003503.00
LogP ≤ 569.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine with MolForge

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Related Compounds

3-[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-1H-isoindol-5-yl]-5,5-dimethylcyclohex-2-en-1-one;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1H-pyrazol-5-yl)-1H-isoindole;5,5-dimethyl-3-[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-isoindol-5-yl]cyclohex-2-en-1-one;4-[6-[6-(furan-3-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[6-(2-methyl-1,3-thiazol-5-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;4-[6-(6-thiophen-3-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 157764382
1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 158576601
5-tert-butyl-2,3-dimethylfuran;3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyridine;4-tert-butyl-6-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-5-methyl-1,2,4-thiadiazole;4-tert-butyl-2-methyl-1,3-thiazole;4,5-dimethyl-1-propan-2-ylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;3-(2-fluoropropan-2-yl)-5-methyl-1,2-oxazole;5-methyl-3-(2-methylbutan-2-yl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;5-methyl-3-(trifluoromethyl)-1,2-oxazole;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 158832470
1-tert-butylpyrrolidine;cumene;1,1-difluoro-4-methylpentane;2,3-dimethylbutane;2,5-dimethylhexane;2,4-dimethylpentane;2,4-dimethylpent-2-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;2-methylhexane;2-methylpentane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;2-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane;2,2,3-trimethylbutane;2,2,4-trimethylpentane;2,3,3-trimethylpentane
CID 158853720
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 159123278
N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 159218631
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 159561098
1-cyclopentyl-4-propan-2-ylpyrazole;2,4-dimethyl-3-propan-2-ylfuran;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;(3S)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;(3S)-3-fluoro-1-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);1-methyl-2-propan-2-ylpyrrole;3-methyl-4-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-2H-pyrrole;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;1-phenyl-4-propan-2-ylpyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine;bis(1,3,5-trimethyl-4-propan-2-ylpyrazole)
CID 159633434
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;methane;3-propan-2-ylfuran;1-propan-2-ylimidazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole
CID 159774368
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;cumene;2-cyclopropyl-5-propan-2-yl-3H-pyrrole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole
CID 161130887
8-[[2-(Cyclopenten-1-yl)furan-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 161218983
1-benzyl-4-propan-2-ylpyrazole;2-cyclopropyl-4-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;6-methyl-4-propan-2-ylpyridin-2-amine;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-pyrazole;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-propan-2-ylpyridin-2-amine;1-(5-propan-2-ylthiophen-2-yl)ethanone;4-propan-2-yl-1-(thiophen-2-ylmethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161556844

Frequently Asked Questions

What is the IUPAC name of cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The IUPAC name of cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (CID 158129735) is cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.
What is the SMILES notation for cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The canonical SMILES for cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is CC(C)(C)Cn1cnnc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cc1nccs1.CC(C)Cn1cccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cnccn1.CC(C)c1ncccn1.
What is the InChIKey of cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The InChIKey is FSPVMYADAOKREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C8H11N.2C8H12O.2C8H12S.C7H13N3.4C7H10N2.3C7H12N2.2C7H10N2.C7H11NS.19C4H10/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2,3)4-10-5-8-9-6-10;2*1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;2*1-6(2)5-7-3-4-8-9-7;1-7(2)6-9-5-3-4-8-9;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)5-7-8-3-4-9-7;19*1-4(2)3/h3-8H,1-2H3;3*3-7H,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;5-6H,4H2,1-3H3;4*3-6H,1-2H3;2*3-4,6H,5H2,1-2H3,(H,8,9);3-5,7H,6H2,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;19*4H,1-3H3.
What are the key properties of cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine has a molecular weight of 3503.00 g/mol, XLogP of 69.88, 27 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;nonadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is sourced from PubChem (CID 158129735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).