tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C178H241Cl3F26N24O5 — CID 159220814

IUPACtert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC(=O)c1nn(C(C)(C)C)c2c1[C@H]1C[C@H]1C2(F)F.CC(C)(C)c1c[nH]c2ccc(F)cc12.CC(C)(C)c1ccccc1.CC(C)(C)n1nc(C(F)(F)F)c2c1C1CC1CO2.CC(C)(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)(C)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.CC(C)(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)(C)n1nc(Cl)c2c1C(F)(F)[C@@H]1C[C@H]21.CC(C)(C)n1nc(Cl)c2c1CCCC2.CC(C)(C)n1nc2c(c1Cl)CCCC2.CC(F)(F)c1cc(C2CC2)n(C(C)(C)C)n1.CC(F)(F)c1nn(C(C)(C)C)c2c1CCOC2.CC(F)c1cc(C(F)F)n(C(C)(C)C)n1.CC1=C(C(C)(C)C)c2cc(O)ccc2C1.COc1ccc2[nH]cc(C(C)(C)C)c2c1
InChIInChI=1S/C14H18O.C13H16F2N2O.C13H18F2N2.C13H17NO.C12H14F6N2.C12H15F3N2O.C12H17F3N2.C12H18F2N2O.C12H18F2N2.C12H14FN.C11H13ClF2N2.2C11H17ClN2.C10H15F3N2.C10H14/c1-9-7-10-5-6-11(15)8-12(10)13(9)14(2,3)4;1-6(18)10-9-7-5-8(7)13(14,15)11(9)17(16-10)12(2,3)4;1-13(2,3)17-11-8(10(16-17)12(14)15)5-4-7-6-9(7)11;1-13(2,3)11-8-14-12-6-5-9(15-4)7-10(11)12;1-10(2,3)20-8-6(7(19-20)9(13)14)11(15,16)4-5-12(8,17)18;1-11(2,3)17-8-7-4-6(7)5-18-9(8)10(16-17)12(13,14)15;1-11(2,3)17-9-7-5-4-6-8(9)10(16-17)12(13,14)15;1-11(2,3)16-9-7-17-6-5-8(9)10(15-16)12(4,13)14;1-11(2,3)16-9(8-5-6-8)7-10(15-16)12(4,13)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11;1-10(2,3)16-8-7(9(12)15-16)5-4-6(5)11(8,13)14;1-11(2,3)14-9-7-5-4-6-8(9)10(12)13-14;1-11(2,3)14-10(12)8-6-4-5-7-9(8)13-14;1-6(11)7-5-8(9(12)13)15(14-7)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9/h5-6,8,15H,7H2,1-4H3;7-8H,5H2,1-4H3;7,9,12H,4-6H2,1-3H3;5-8,14H,1-4H3;9H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;4-7H2,1-3H3;5-7H2,1-4H3;7-8H,5-6H2,1-4H3;4-7,14H,1-3H3;5-6H,4H2,1-3H3;2*4-7H2,1-3H3;5-6,9H,1-4H3;4-8H,1-3H3/t;7-,8+;;;;;;;;;5-,6+;;;;/m.0........0..../s1
InChIKeyKRQUQBIGKUUNMN-ZMZSBLJLSA-N
MW3397.36 g/mol
LogP51.64
Rot. Bonds9

About tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 159220814) has the molecular formula C178H241Cl3F26N24O5 and a molecular weight of 3397.36 g/mol. Its IUPAC name is tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Nametert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID159220814
Molecular FormulaC178H241Cl3F26N24O5
Molecular Weight3397.36 g/mol
Exact Mass3393.80
IUPAC Nametert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC(=O)c1nn(C(C)(C)C)c2c1[C@H]1C[C@H]1C2(F)F.CC(C)(C)c1c[nH]c2ccc(F)cc12.CC(C)(C)c1ccccc1.CC(C)(C)n1nc(C(F)(F)F)c2c1C1CC1CO2.CC(C)(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)(C)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.CC(C)(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)(C)n1nc(Cl)c2c1C(F)(F)[C@@H]1C[C@H]21.CC(C)(C)n1nc(Cl)c2c1CCCC2.CC(C)(C)n1nc2c(c1Cl)CCCC2.CC(F)(F)c1cc(C2CC2)n(C(C)(C)C)n1.CC(F)(F)c1nn(C(C)(C)C)c2c1CCOC2.CC(F)c1cc(C(F)F)n(C(C)(C)C)n1.CC1=C(C(C)(C)C)c2cc(O)ccc2C1.COc1ccc2[nH]cc(C(C)(C)C)c2c1
InChIInChI=1S/C14H18O.C13H16F2N2O.C13H18F2N2.C13H17NO.C12H14F6N2.C12H15F3N2O.C12H17F3N2.C12H18F2N2O.C12H18F2N2.C12H14FN.C11H13ClF2N2.2C11H17ClN2.C10H15F3N2.C10H14/c1-9-7-10-5-6-11(15)8-12(10)13(9)14(2,3)4;1-6(18)10-9-7-5-8(7)13(14,15)11(9)17(16-10)12(2,3)4;1-13(2,3)17-11-8(10(16-17)12(14)15)5-4-7-6-9(7)11;1-13(2,3)11-8-14-12-6-5-9(15-4)7-10(11)12;1-10(2,3)20-8-6(7(19-20)9(13)14)11(15,16)4-5-12(8,17)18;1-11(2,3)17-8-7-4-6(7)5-18-9(8)10(16-17)12(13,14)15;1-11(2,3)17-9-7-5-4-6-8(9)10(16-17)12(13,14)15;1-11(2,3)16-9-7-17-6-5-8(9)10(15-16)12(4,13)14;1-11(2,3)16-9(8-5-6-8)7-10(15-16)12(4,13)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11;1-10(2,3)16-8-7(9(12)15-16)5-4-6(5)11(8,13)14;1-11(2,3)14-9-7-5-4-6-8(9)10(12)13-14;1-11(2,3)14-10(12)8-6-4-5-7-9(8)13-14;1-6(11)7-5-8(9(12)13)15(14-7)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9/h5-6,8,15H,7H2,1-4H3;7-8H,5H2,1-4H3;7,9,12H,4-6H2,1-3H3;5-8,14H,1-4H3;9H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;4-7H2,1-3H3;5-7H2,1-4H3;7-8H,5-6H2,1-4H3;4-7,14H,1-3H3;5-6H,4H2,1-3H3;2*4-7H2,1-3H3;5-6,9H,1-4H3;4-8H,1-3H3/t;7-,8+;;;;;;;;;5-,6+;;;;/m.0........0..../s1
InChIKeyKRQUQBIGKUUNMN-ZMZSBLJLSA-N
XLogP51.64
TPSA292.59 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003397.36
LogP ≤ 551.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole with MolForge

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Launch Full Analysis

Related Compounds

5-[2-[(1S)-1-[[2-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3-chloro-5-fluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-1-[[2-[9-(difluoromethyl)-5-hydroxy-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157375897
1-tert-butyl-3,5-bis(difluoromethyl)pyrazole;(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(trifluoromethyl)pyrazole;(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 158553908
1-tert-butyl-3,5-bis(difluoromethyl)pyrazole;(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(trifluoromethyl)pyrazole;(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 158559146
(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 160778530
(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-2-methyl-1H-inden-5-ol;3-chloro-4,5,6,7-tetrahydro-1H-indazole;(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 162038655

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 159220814) is tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is CC(=O)c1nn(C(C)(C)C)c2c1[C@H]1C[C@H]1C2(F)F.CC(C)(C)c1c[nH]c2ccc(F)cc12.CC(C)(C)c1ccccc1.CC(C)(C)n1nc(C(F)(F)F)c2c1C1CC1CO2.CC(C)(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)(C)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.CC(C)(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)(C)n1nc(Cl)c2c1C(F)(F)[C@@H]1C[C@H]21.CC(C)(C)n1nc(Cl)c2c1CCCC2.CC(C)(C)n1nc2c(c1Cl)CCCC2.CC(F)(F)c1cc(C2CC2)n(C(C)(C)C)n1.CC(F)(F)c1nn(C(C)(C)C)c2c1CCOC2.CC(F)c1cc(C(F)F)n(C(C)(C)C)n1.CC1=C(C(C)(C)C)c2cc(O)ccc2C1.COc1ccc2[nH]cc(C(C)(C)C)c2c1.
What is the InChIKey of tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is KRQUQBIGKUUNMN-ZMZSBLJLSA-N. The full InChI is InChI=1S/C14H18O.C13H16F2N2O.C13H18F2N2.C13H17NO.C12H14F6N2.C12H15F3N2O.C12H17F3N2.C12H18F2N2O.C12H18F2N2.C12H14FN.C11H13ClF2N2.2C11H17ClN2.C10H15F3N2.C10H14/c1-9-7-10-5-6-11(15)8-12(10)13(9)14(2,3)4;1-6(18)10-9-7-5-8(7)13(14,15)11(9)17(16-10)12(2,3)4;1-13(2,3)17-11-8(10(16-17)12(14)15)5-4-7-6-9(7)11;1-13(2,3)11-8-14-12-6-5-9(15-4)7-10(11)12;1-10(2,3)20-8-6(7(19-20)9(13)14)11(15,16)4-5-12(8,17)18;1-11(2,3)17-8-7-4-6(7)5-18-9(8)10(16-17)12(13,14)15;1-11(2,3)17-9-7-5-4-6-8(9)10(16-17)12(13,14)15;1-11(2,3)16-9-7-17-6-5-8(9)10(15-16)12(4,13)14;1-11(2,3)16-9(8-5-6-8)7-10(15-16)12(4,13)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11;1-10(2,3)16-8-7(9(12)15-16)5-4-6(5)11(8,13)14;1-11(2,3)14-9-7-5-4-6-8(9)10(12)13-14;1-11(2,3)14-10(12)8-6-4-5-7-9(8)13-14;1-6(11)7-5-8(9(12)13)15(14-7)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9/h5-6,8,15H,7H2,1-4H3;7-8H,5H2,1-4H3;7,9,12H,4-6H2,1-3H3;5-8,14H,1-4H3;9H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;4-7H2,1-3H3;5-7H2,1-4H3;7-8H,5-6H2,1-4H3;4-7,14H,1-3H3;5-6H,4H2,1-3H3;2*4-7H2,1-3H3;5-6,9H,1-4H3;4-8H,1-3H3/t;7-,8+;;;;;;;;;5-,6+;;;;/m.0........0..../s1.
What are the key properties of tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 3397.36 g/mol, XLogP of 51.64, 9 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 159220814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).