1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol

C166H264F2N34O7S3 — CID 160710342

IUPAC1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol
SMILESCC(C)(C)C1=CCN=N1.CC(C)(C)c1nc(C(C)(F)F)no1.CC(C)c1cc[nH]c1.CC(C)c1ccc(CO)s1.CC(C)c1ccn(C)c1.CC(C)c1ccno1.CC(C)c1cn(C)nn1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1nc(C2CC2)no1.CC(C)c1ncco1.CC(C)n1cccn1.CC(C)n1cccn1.CCc1cc(C(C)C)on1.CCn1cc(C(C)C)cn1.CCn1ncc(C(C)C)n1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)ccn1.Cc1ccn(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1cnn(C(C)C)c1.Cc1nnc(C(C)(C)C)s1.Cc1occc1C(C)C
InChIInChI=1S/C13H16N2.C9H13N.C8H12F2N2O.C8H12N2O.2C8H14N2.C8H13NO.2C8H13N.C8H12OS.C8H12O.C7H13N3.C7H12N2S.2C7H12N2.C7H11NS.C7H11N.C6H11N3.2C6H10N2.2C6H9NO/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-7(2)9-4-5-10-8(3)6-9;1-7(2,3)6-11-5(12-13-6)8(4,9)10;1-5(2)8-9-7(10-11-8)6-3-4-6;1-6(2)8-5-9-10(4)7(8)3;1-4-10-6-8(5-9-10)7(2)3;1-4-7-5-8(6(2)3)10-9-7;1-7(2)8-4-5-9(3)6-8;1-7(2)9-5-4-8(3)6-9;1-6(2)8-4-3-7(5-9)10-8;1-6(2)8-4-5-9-7(8)3;1-4-10-8-5-7(9-10)6(2)3;1-5-8-9-6(10-5)7(2,3)4;1-6(2)9-5-7(3)4-8-9;1-7(2,3)6-4-5-8-9-6;1-5(2)7-8-4-6(3)9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-4-9(3)8-7-6;2*1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h3-8,10-11H,9H2,1-2H3;4-7H,1-3H3;1-4H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;2*4-7H,1-3H3;3-4,6,9H,5H2,1-2H3;4-6H,1-3H3;5-6H,4H2,1-3H3;1-4H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;4-5H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyRRTSYPVRWHKPIH-UHFFFAOYSA-N
MW2982.37 g/mol
LogP45.85
Rot. Bonds27

About 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol

1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol (PubChem CID 160710342) has the molecular formula C166H264F2N34O7S3 and a molecular weight of 2982.37 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol.

Molecular Properties

Compound Name1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol
PubChem CID160710342
Molecular FormulaC166H264F2N34O7S3
Molecular Weight2982.37 g/mol
Exact Mass2980.05
IUPAC Name1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol
SMILESCC(C)(C)C1=CCN=N1.CC(C)(C)c1nc(C(C)(F)F)no1.CC(C)c1cc[nH]c1.CC(C)c1ccc(CO)s1.CC(C)c1ccn(C)c1.CC(C)c1ccno1.CC(C)c1cn(C)nn1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1nc(C2CC2)no1.CC(C)c1ncco1.CC(C)n1cccn1.CC(C)n1cccn1.CCc1cc(C(C)C)on1.CCn1cc(C(C)C)cn1.CCn1ncc(C(C)C)n1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)ccn1.Cc1ccn(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1cnn(C(C)C)c1.Cc1nnc(C(C)(C)C)s1.Cc1occc1C(C)C
InChIInChI=1S/C13H16N2.C9H13N.C8H12F2N2O.C8H12N2O.2C8H14N2.C8H13NO.2C8H13N.C8H12OS.C8H12O.C7H13N3.C7H12N2S.2C7H12N2.C7H11NS.C7H11N.C6H11N3.2C6H10N2.2C6H9NO/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-7(2)9-4-5-10-8(3)6-9;1-7(2,3)6-11-5(12-13-6)8(4,9)10;1-5(2)8-9-7(10-11-8)6-3-4-6;1-6(2)8-5-9-10(4)7(8)3;1-4-10-6-8(5-9-10)7(2)3;1-4-7-5-8(6(2)3)10-9-7;1-7(2)8-4-5-9(3)6-8;1-7(2)9-5-4-8(3)6-9;1-6(2)8-4-3-7(5-9)10-8;1-6(2)8-4-5-9-7(8)3;1-4-10-8-5-7(9-10)6(2)3;1-5-8-9-6(10-5)7(2,3)4;1-6(2)9-5-7(3)4-8-9;1-7(2,3)6-4-5-8-9-6;1-5(2)7-8-4-6(3)9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-4-9(3)8-7-6;2*1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h3-8,10-11H,9H2,1-2H3;4-7H,1-3H3;1-4H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;2*4-7H,1-3H3;3-4,6,9H,5H2,1-2H3;4-6H,1-3H3;5-6H,4H2,1-3H3;1-4H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;4-5H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyRRTSYPVRWHKPIH-UHFFFAOYSA-N
XLogP45.85
TPSA459.57 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds27
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002982.37
LogP ≤ 545.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Analyze 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157067177
CID 157181702
CID 157181702
CID 157298273
CID 157298273
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;bis(5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole);1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157501942
3-Tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3-(trifluoromethyl)-1,2-oxazole;3-cyclopropyl-2-methyl-5-propan-2-yl-1,2,4-oxadiazol-2-ium;1,5-dimethyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-yl-1,2,4-triazole
CID 157545873
3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;5-tert-butyl-3-(trifluoromethyl)-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;methane;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;4-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;1-propan-2-yl-1,2,4-triazole
CID 157603729
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrrole;4-tert-butyl-2-methyltriazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole
CID 157658282
CID 157902277
CID 157902277
5-Tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 157916697
CID 158046770
CID 158046770
cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 158110433
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1-ethyl-4-propan-2-yltriazole;2-fluoro-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-yltriazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158159608

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol?
The IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol (CID 160710342) is 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol.
What is the SMILES notation for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol?
The canonical SMILES for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol is CC(C)(C)C1=CCN=N1.CC(C)(C)c1nc(C(C)(F)F)no1.CC(C)c1cc[nH]c1.CC(C)c1ccc(CO)s1.CC(C)c1ccn(C)c1.CC(C)c1ccno1.CC(C)c1cn(C)nn1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1nc(C2CC2)no1.CC(C)c1ncco1.CC(C)n1cccn1.CC(C)n1cccn1.CCc1cc(C(C)C)on1.CCn1cc(C(C)C)cn1.CCn1ncc(C(C)C)n1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)ccn1.Cc1ccn(C(C)C)c1.Cc1cnc(C(C)C)s1.Cc1cnn(C(C)C)c1.Cc1nnc(C(C)(C)C)s1.Cc1occc1C(C)C.
What is the InChIKey of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol?
The InChIKey is RRTSYPVRWHKPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C9H13N.C8H12F2N2O.C8H12N2O.2C8H14N2.C8H13NO.2C8H13N.C8H12OS.C8H12O.C7H13N3.C7H12N2S.2C7H12N2.C7H11NS.C7H11N.C6H11N3.2C6H10N2.2C6H9NO/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-7(2)9-4-5-10-8(3)6-9;1-7(2,3)6-11-5(12-13-6)8(4,9)10;1-5(2)8-9-7(10-11-8)6-3-4-6;1-6(2)8-5-9-10(4)7(8)3;1-4-10-6-8(5-9-10)7(2)3;1-4-7-5-8(6(2)3)10-9-7;1-7(2)8-4-5-9(3)6-8;1-7(2)9-5-4-8(3)6-9;1-6(2)8-4-3-7(5-9)10-8;1-6(2)8-4-5-9-7(8)3;1-4-10-8-5-7(9-10)6(2)3;1-5-8-9-6(10-5)7(2,3)4;1-6(2)9-5-7(3)4-8-9;1-7(2,3)6-4-5-8-9-6;1-5(2)7-8-4-6(3)9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-4-9(3)8-7-6;2*1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h3-8,10-11H,9H2,1-2H3;4-7H,1-3H3;1-4H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;2*4-7H,1-3H3;3-4,6,9H,5H2,1-2H3;4-6H,1-3H3;5-6H,4H2,1-3H3;1-4H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;4-5H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol?
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol has a molecular weight of 2982.37 g/mol, XLogP of 45.85, 27 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3-ethyl-5-propan-2-yl-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-4-propan-2-yltriazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-1H-pyrrole;(5-propan-2-ylthiophen-2-yl)methanol is sourced from PubChem (CID 160710342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).