3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole

C91H119ClF4N14 — CID 159490348

IUPAC3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole
SMILESCc1cc2c(cc1F)c(C(C)(C)C)nn2C.Cc1ccc2c(C(C)(C)C)nn(C)c2c1.Cc1ccc2c(c(C(C)(C)C)nn2C)c1F.Cc1ccc2c(c1)c(C(C)(C)C)nn2C.Cn1nc(C(C)(C)C)c2c(F)c(F)ccc21.Cn1nc(C(C)(C)C)c2cc(C3CC3)ccc21.Cn1nc(C(C)(C)C)c2cc(Cl)ccc21
InChIInChI=1S/C15H20N2.2C13H17FN2.2C13H18N2.C12H15ClN2.C12H14F2N2/c1-15(2,3)14-12-9-11(10-5-6-10)7-8-13(12)17(4)16-14;1-8-6-11-9(7-10(8)14)12(13(2,3)4)15-16(11)5;1-8-6-7-9-10(11(8)14)12(13(2,3)4)15-16(9)5;1-9-6-7-11-10(8-9)12(13(2,3)4)14-15(11)5;1-9-6-7-10-11(8-9)15(5)14-12(10)13(2,3)4;1-12(2,3)11-9-7-8(13)5-6-10(9)15(4)14-11;1-12(2,3)11-9-8(16(4)15-11)6-5-7(13)10(9)14/h7-10H,5-6H2,1-4H3;2*6-7H,1-5H3;2*6-8H,1-5H3;5-7H,1-4H3;5-6H,1-4H3
InChIKeyLYCMMVUTEHRROA-UHFFFAOYSA-N
MW1520.50 g/mol
LogP23.42
Rot. Bonds1

About 3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole

3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole (PubChem CID 159490348) has the molecular formula C91H119ClF4N14 and a molecular weight of 1520.50 g/mol. Its IUPAC name is 3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole.

Molecular Properties

Compound Name3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole
PubChem CID159490348
Molecular FormulaC91H119ClF4N14
Molecular Weight1520.50 g/mol
Exact Mass1518.94
IUPAC Name3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole
SMILESCc1cc2c(cc1F)c(C(C)(C)C)nn2C.Cc1ccc2c(C(C)(C)C)nn(C)c2c1.Cc1ccc2c(c(C(C)(C)C)nn2C)c1F.Cc1ccc2c(c1)c(C(C)(C)C)nn2C.Cn1nc(C(C)(C)C)c2c(F)c(F)ccc21.Cn1nc(C(C)(C)C)c2cc(C3CC3)ccc21.Cn1nc(C(C)(C)C)c2cc(Cl)ccc21
InChIInChI=1S/C15H20N2.2C13H17FN2.2C13H18N2.C12H15ClN2.C12H14F2N2/c1-15(2,3)14-12-9-11(10-5-6-10)7-8-13(12)17(4)16-14;1-8-6-11-9(7-10(8)14)12(13(2,3)4)15-16(11)5;1-8-6-7-9-10(11(8)14)12(13(2,3)4)15-16(9)5;1-9-6-7-11-10(8-9)12(13(2,3)4)14-15(11)5;1-9-6-7-10-11(8-9)15(5)14-12(10)13(2,3)4;1-12(2,3)11-9-7-8(13)5-6-10(9)15(4)14-11;1-12(2,3)11-9-8(16(4)15-11)6-5-7(13)10(9)14/h7-10H,5-6H2,1-4H3;2*6-7H,1-5H3;2*6-8H,1-5H3;5-7H,1-4H3;5-6H,1-4H3
InChIKeyLYCMMVUTEHRROA-UHFFFAOYSA-N
XLogP23.42
TPSA124.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001520.50
LogP ≤ 523.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole with MolForge

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Related Compounds

5-Tert-butyl-1-(4-chlorophenyl)-3-cyclopropylpyrazole;5-tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;5-tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole
CID 159032406
5-Tert-butyl-3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]pyrazole;1-(4-chlorophenyl)-3-cyclopropyl-5-propan-2-ylpyrazole;3,5-ditert-butyl-1-(4-chlorophenyl)pyrazole;3,5-ditert-butyl-1-(4-methylphenyl)pyrazole;3,5-ditert-butyl-1-methylpyrazole
CID 162043502
5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine
CID 159825061
9-(3-Carbazol-9-ylphenyl)-3,6-diphenylcarbazole;3-chloro-9-[3-(3-chlorocarbazol-9-yl)phenyl]carbazole;2,7-ditert-butyl-9-[3-(2,7-ditert-butylcarbazol-9-yl)phenyl]carbazole;9-[3-(3,6-difluorocarbazol-9-yl)phenyl]-3,6-difluorocarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole;3-isocyano-9-[3-(3-isocyanocarbazol-9-yl)phenyl]carbazole;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 160203822
1-(2,4-Difluoro-6-methylphenyl)-2,3-dimethylindazol-1-ium;4-(2,3-dimethylindazol-1-ium-1-yl)-5-methylbenzene-1,3-dicarbonitrile;2-(2,3-dimethylindazol-1-ium-1-yl)-3-methylbenzonitrile;3-(2,3-dimethylindazol-1-ium-1-yl)-4-methylbenzonitrile;4-(2,3-dimethylindazol-1-ium-1-yl)-3-methylbenzonitrile
CID 160431660
4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole
CID 164968999

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole?
The IUPAC name of 3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole (CID 159490348) is 3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole.
What is the SMILES notation for 3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole?
The canonical SMILES for 3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole is Cc1cc2c(cc1F)c(C(C)(C)C)nn2C.Cc1ccc2c(C(C)(C)C)nn(C)c2c1.Cc1ccc2c(c(C(C)(C)C)nn2C)c1F.Cc1ccc2c(c1)c(C(C)(C)C)nn2C.Cn1nc(C(C)(C)C)c2c(F)c(F)ccc21.Cn1nc(C(C)(C)C)c2cc(C3CC3)ccc21.Cn1nc(C(C)(C)C)c2cc(Cl)ccc21.
What is the InChIKey of 3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole?
The InChIKey is LYCMMVUTEHRROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.2C13H17FN2.2C13H18N2.C12H15ClN2.C12H14F2N2/c1-15(2,3)14-12-9-11(10-5-6-10)7-8-13(12)17(4)16-14;1-8-6-11-9(7-10(8)14)12(13(2,3)4)15-16(11)5;1-8-6-7-9-10(11(8)14)12(13(2,3)4)15-16(9)5;1-9-6-7-11-10(8-9)12(13(2,3)4)14-15(11)5;1-9-6-7-10-11(8-9)15(5)14-12(10)13(2,3)4;1-12(2,3)11-9-7-8(13)5-6-10(9)15(4)14-11;1-12(2,3)11-9-8(16(4)15-11)6-5-7(13)10(9)14/h7-10H,5-6H2,1-4H3;2*6-7H,1-5H3;2*6-8H,1-5H3;5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole?
3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole has a molecular weight of 1520.50 g/mol, XLogP of 23.42, 1 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole is sourced from PubChem (CID 159490348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).