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

C163H215Cl3F29N25O6 — CID 158559146

IUPAC1-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
SMILESCC(C)(C)c1c[nH]c2ccc(F)cc12.CC(C)(C)n1nc(C(=O)O)c2c1C(F)(F)[C@@H]1C[C@H]21.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)F)c2c1COCC2.CC(C)(C)n1nc(C(F)(F)F)cc1C1CC1.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(C(F)F)cc1C(F)F.CC(C)(C)n1nc(Cl)c2c1CCCC2.CC(C)(C)n1nc2c(c1Cl)CCCC2.CC(C)(C)n1nc2c(c1Cl)[C@H]1C[C@H]1C2(F)F.CC1=C(C(C)(C)C)c2cc(O)ccc2C1.COc1ccc2[nH]cc(C(C)(C)C)c2n1
InChIInChI=1S/C14H18O.C13H18F2N2.C12H14F6N2.C12H15F3N2O.C12H17F3N2.C12H14F2N2O2.C12H14FN.C12H16N2O.C11H13ClF2N2.2C11H17ClN2.C11H15F3N2O.C11H15F3N2.C9H12F4N2/c1-9-7-10-5-6-11(15)8-12(10)13(9)14(2,3)4;1-13(2,3)17-11-8(10(16-17)12(14)15)5-4-7-6-9(7)11;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(8(15-16)10(17)18)5-4-6(5)12(9,13)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11;1-12(2,3)8-7-13-9-5-6-10(15-4)14-11(8)9;1-10(2,3)16-9(12)7-5-4-6(5)11(13,14)8(7)15-16;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;1-10(2,3)16-8-6-17-5-4-7(8)9(15-16)11(12,13)14;1-10(2,3)16-8(7-4-5-7)6-9(15-16)11(12,13)14;1-9(2,3)15-6(8(12)13)4-5(14-15)7(10)11/h5-6,8,15H,7H2,1-4H3;7,9,12H,4-6H2,1-3H3;9H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;4-7H2,1-3H3;5-6H,4H2,1-3H3,(H,17,18);4-7,14H,1-3H3;5-7,13H,1-4H3;5-6H,4H2,1-3H3;2*4-7H2,1-3H3;4-6H2,1-3H3;6-7H,4-5H2,1-3H3;4,7-8H,1-3H3/t;;;;;5-,6+;;;5-,6+;;;;;/m.....0..0...../s1
InChIKeyHQQYBPRRTFAAQH-ZNLBYRLTSA-N
MW3277.98 g/mol
LogP47.27
Rot. Bonds7

About 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

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 (PubChem CID 158559146) has the molecular formula C163H215Cl3F29N25O6 and a molecular weight of 3277.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158559146
Molecular FormulaC163H215Cl3F29N25O6
Molecular Weight3277.98 g/mol
Exact Mass3274.59
IUPAC Name1-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
SMILESCC(C)(C)c1c[nH]c2ccc(F)cc12.CC(C)(C)n1nc(C(=O)O)c2c1C(F)(F)[C@@H]1C[C@H]21.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)F)c2c1COCC2.CC(C)(C)n1nc(C(F)(F)F)cc1C1CC1.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(C(F)F)cc1C(F)F.CC(C)(C)n1nc(Cl)c2c1CCCC2.CC(C)(C)n1nc2c(c1Cl)CCCC2.CC(C)(C)n1nc2c(c1Cl)[C@H]1C[C@H]1C2(F)F.CC1=C(C(C)(C)C)c2cc(O)ccc2C1.COc1ccc2[nH]cc(C(C)(C)C)c2n1
InChIInChI=1S/C14H18O.C13H18F2N2.C12H14F6N2.C12H15F3N2O.C12H17F3N2.C12H14F2N2O2.C12H14FN.C12H16N2O.C11H13ClF2N2.2C11H17ClN2.C11H15F3N2O.C11H15F3N2.C9H12F4N2/c1-9-7-10-5-6-11(15)8-12(10)13(9)14(2,3)4;1-13(2,3)17-11-8(10(16-17)12(14)15)5-4-7-6-9(7)11;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(8(15-16)10(17)18)5-4-6(5)12(9,13)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11;1-12(2,3)8-7-13-9-5-6-10(15-4)14-11(8)9;1-10(2,3)16-9(12)7-5-4-6(5)11(13,14)8(7)15-16;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;1-10(2,3)16-8-6-17-5-4-7(8)9(15-16)11(12,13)14;1-10(2,3)16-8(7-4-5-7)6-9(15-16)11(12,13)14;1-9(2,3)15-6(8(12)13)4-5(14-15)7(10)11/h5-6,8,15H,7H2,1-4H3;7,9,12H,4-6H2,1-3H3;9H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;4-7H2,1-3H3;5-6H,4H2,1-3H3,(H,17,18);4-7,14H,1-3H3;5-7,13H,1-4H3;5-6H,4H2,1-3H3;2*4-7H2,1-3H3;4-6H2,1-3H3;6-7H,4-5H2,1-3H3;4,7-8H,1-3H3/t;;;;;5-,6+;;;5-,6+;;;;;/m.....0..0...../s1
InChIKeyHQQYBPRRTFAAQH-ZNLBYRLTSA-N
XLogP47.27
TPSA325.71 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds7
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003277.98
LogP ≤ 547.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
(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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1c[nH]c2ccc(F)cc12.CC(C)(C)n1nc(C(=O)O)c2c1C(F)(F)[C@@H]1C[C@H]21.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)F)c2c1COCC2.CC(C)(C)n1nc(C(F)(F)F)cc1C1CC1.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(C(F)F)cc1C(F)F.CC(C)(C)n1nc(Cl)c2c1CCCC2.CC(C)(C)n1nc2c(c1Cl)CCCC2.CC(C)(C)n1nc2c(c1Cl)[C@H]1C[C@H]1C2(F)F.CC1=C(C(C)(C)C)c2cc(O)ccc2C1.COc1ccc2[nH]cc(C(C)(C)C)c2n1.
What is the InChIKey of 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?
The InChIKey is HQQYBPRRTFAAQH-ZNLBYRLTSA-N. The full InChI is InChI=1S/C14H18O.C13H18F2N2.C12H14F6N2.C12H15F3N2O.C12H17F3N2.C12H14F2N2O2.C12H14FN.C12H16N2O.C11H13ClF2N2.2C11H17ClN2.C11H15F3N2O.C11H15F3N2.C9H12F4N2/c1-9-7-10-5-6-11(15)8-12(10)13(9)14(2,3)4;1-13(2,3)17-11-8(10(16-17)12(14)15)5-4-7-6-9(7)11;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(8(15-16)10(17)18)5-4-6(5)12(9,13)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11;1-12(2,3)8-7-13-9-5-6-10(15-4)14-11(8)9;1-10(2,3)16-9(12)7-5-4-6(5)11(13,14)8(7)15-16;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;1-10(2,3)16-8-6-17-5-4-7(8)9(15-16)11(12,13)14;1-10(2,3)16-8(7-4-5-7)6-9(15-16)11(12,13)14;1-9(2,3)15-6(8(12)13)4-5(14-15)7(10)11/h5-6,8,15H,7H2,1-4H3;7,9,12H,4-6H2,1-3H3;9H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;4-7H2,1-3H3;5-6H,4H2,1-3H3,(H,17,18);4-7,14H,1-3H3;5-7,13H,1-4H3;5-6H,4H2,1-3H3;2*4-7H2,1-3H3;4-6H2,1-3H3;6-7H,4-5H2,1-3H3;4,7-8H,1-3H3/t;;;;;5-,6+;;;5-,6+;;;;;/m.....0..0...../s1.
What are the key properties of 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?
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 has a molecular weight of 3277.98 g/mol, XLogP of 47.27, 7 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158559146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).