5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole

C161H206N26O7 — CID 161469967

IUPAC5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole
SMILESCC(C)/C=C1\CCCc2ccccc21.CC(C)C(=O)Nc1cccc(-c2cnco2)c1.CC(C)Oc1cccc(NC(=O)C(C)C)c1.CC(C)c1cccc(-c2nn[nH]n2)c1.COC(=O)c1ccc2c(C(C)(C)C)cn(C)c2c1.Cc1c(C(C)C)n(C(C)(C)C)c2ccccc12.Cn1cc(-c2ccc3cc(C(C)(C)C)n(C)c3c2)cn1.Cn1cc(-c2n[nH]c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(C)c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(CCO)c3ccc(C(C)(C)C)cc23)cn1.Cn1nc(C2CC2)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C17H22N4O.C17H21N3.C16H20N4.C16H23N.C15H18N4.C15H20N2.C15H19NO2.C14H18.C13H14N2O2.C13H19NO2.C10H12N4/c1-17(2,3)13-5-6-15-14(9-13)16(19-21(15)7-8-22)12-10-18-20(4)11-12;1-17(2,3)16-9-13-7-6-12(8-15(13)20(16)5)14-10-18-19(4)11-14;1-16(2,3)12-6-7-14-13(8-12)15(18-20(14)5)11-9-17-19(4)10-11;1-11(2)15-12(3)13-9-7-8-10-14(13)17(15)16(4,5)6;1-15(2,3)11-5-6-13-12(7-11)14(18-17-13)10-8-16-19(4)9-10;1-15(2,3)11-7-8-13-12(9-11)14(10-5-6-10)16-17(13)4;1-15(2,3)12-9-16(4)13-8-10(14(17)18-5)6-7-11(12)13;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-9(2)13(16)15-11-5-3-4-10(6-11)12-7-14-8-17-12;1-9(2)13(15)14-11-6-5-7-12(8-11)16-10(3)4;1-7(2)8-4-3-5-9(6-8)10-11-13-14-12-10/h5-6,9-11,22H,7-8H2,1-4H3;6-11H,1-5H3;6-10H,1-5H3;7-11H,1-6H3;5-9H,1-4H3,(H,17,18);7-10H,5-6H2,1-4H3;6-9H,1-5H3;3-4,6,9-11H,5,7-8H2,1-2H3;3-9H,1-2H3,(H,15,16);5-10H,1-4H3,(H,14,15);3-7H,1-2H3,(H,11,12,13,14)/b;;;;;;;13-10+;;;
InChIKeyWCYGMBMXQVZLHV-URODYEKLSA-N
MW2617.59 g/mol
LogP37.03
Rot. Bonds19

About 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole

5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole (PubChem CID 161469967) has the molecular formula C161H206N26O7 and a molecular weight of 2617.59 g/mol. Its IUPAC name is 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole
PubChem CID161469967
Molecular FormulaC161H206N26O7
Molecular Weight2617.59 g/mol
Exact Mass2615.66
IUPAC Name5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole
SMILESCC(C)/C=C1\CCCc2ccccc21.CC(C)C(=O)Nc1cccc(-c2cnco2)c1.CC(C)Oc1cccc(NC(=O)C(C)C)c1.CC(C)c1cccc(-c2nn[nH]n2)c1.COC(=O)c1ccc2c(C(C)(C)C)cn(C)c2c1.Cc1c(C(C)C)n(C(C)(C)C)c2ccccc12.Cn1cc(-c2ccc3cc(C(C)(C)C)n(C)c3c2)cn1.Cn1cc(-c2n[nH]c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(C)c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(CCO)c3ccc(C(C)(C)C)cc23)cn1.Cn1nc(C2CC2)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C17H22N4O.C17H21N3.C16H20N4.C16H23N.C15H18N4.C15H20N2.C15H19NO2.C14H18.C13H14N2O2.C13H19NO2.C10H12N4/c1-17(2,3)13-5-6-15-14(9-13)16(19-21(15)7-8-22)12-10-18-20(4)11-12;1-17(2,3)16-9-13-7-6-12(8-15(13)20(16)5)14-10-18-19(4)11-14;1-16(2,3)12-6-7-14-13(8-12)15(18-20(14)5)11-9-17-19(4)10-11;1-11(2)15-12(3)13-9-7-8-10-14(13)17(15)16(4,5)6;1-15(2,3)11-5-6-13-12(7-11)14(18-17-13)10-8-16-19(4)9-10;1-15(2,3)11-7-8-13-12(9-11)14(10-5-6-10)16-17(13)4;1-15(2,3)12-9-16(4)13-8-10(14(17)18-5)6-7-11(12)13;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-9(2)13(16)15-11-5-3-4-10(6-11)12-7-14-8-17-12;1-9(2)13(15)14-11-6-5-7-12(8-11)16-10(3)4;1-7(2)8-4-3-5-9(6-8)10-11-13-14-12-10/h5-6,9-11,22H,7-8H2,1-4H3;6-11H,1-5H3;6-10H,1-5H3;7-11H,1-6H3;5-9H,1-4H3,(H,17,18);7-10H,5-6H2,1-4H3;6-9H,1-5H3;3-4,6,9-11H,5,7-8H2,1-2H3;3-9H,1-2H3,(H,15,16);5-10H,1-4H3,(H,14,15);3-7H,1-2H3,(H,11,12,13,14)/b;;;;;;;13-10+;;;
InChIKeyWCYGMBMXQVZLHV-URODYEKLSA-N
XLogP37.03
TPSA362.66 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002617.59
LogP ≤ 537.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole with MolForge

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Related Compounds

(4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4,9-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-8-(trifluoromethyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(2R)-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(2R)-2-methyl-4-oxo-N-(3-propan-2-yloxyphenyl)-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;(4R)-4-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 162058249
1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-(3-propan-2-ylphenyl)carbamate;(3R)-3-(3-cyclopropyl-5-propan-2-ylindazol-1-yl)butanenitrile;1,3-dimethyl-5-propan-2-ylindazole;2-methyl-N-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]propanamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-methyl-2-propan-2-ylindole;1-methyl-5-propan-2-ylindole;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;1-phenylmethoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 157304480
1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-(3-propan-2-ylphenyl)carbamate;(3R)-3-(3-cyclopropyl-5-propan-2-ylindazol-1-yl)butanenitrile;2-methyl-N-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]propanamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-methyl-2-propan-2-ylindole;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;1-phenylmethoxy-3-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 157417975
5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide
CID 158220310
5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide
CID 159466351
1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-(3-propan-2-ylphenyl)carbamate;(3R)-3-(3-cyclopropyl-5-propan-2-ylindazol-1-yl)butanenitrile;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-methyl-2-propan-2-ylindole;1-methyl-5-propan-2-ylindole;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;1-phenylmethoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 160112370
1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1H-pyrazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(1H-pyrazol-5-yl)indol-2-yl]phenyl]carbamate
CID 160481898
propan-2-yl N-[4-[6-carbamoyl-3-cyano-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 160619201
tert-butyl N-(3-propan-2-ylphenyl)carbamate;(3R)-3-(3-cyclopropyl-5-propan-2-ylindazol-1-yl)butanenitrile;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;1-phenylmethoxy-3-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 160920195
propan-2-yl N-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1H-pyrazol-5-yl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate
CID 161292925

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole?
The IUPAC name of 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole (CID 161469967) is 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole?
The canonical SMILES for 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole is CC(C)/C=C1\CCCc2ccccc21.CC(C)C(=O)Nc1cccc(-c2cnco2)c1.CC(C)Oc1cccc(NC(=O)C(C)C)c1.CC(C)c1cccc(-c2nn[nH]n2)c1.COC(=O)c1ccc2c(C(C)(C)C)cn(C)c2c1.Cc1c(C(C)C)n(C(C)(C)C)c2ccccc12.Cn1cc(-c2ccc3cc(C(C)(C)C)n(C)c3c2)cn1.Cn1cc(-c2n[nH]c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(C)c3ccc(C(C)(C)C)cc23)cn1.Cn1cc(-c2nn(CCO)c3ccc(C(C)(C)C)cc23)cn1.Cn1nc(C2CC2)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole?
The InChIKey is WCYGMBMXQVZLHV-URODYEKLSA-N. The full InChI is InChI=1S/C17H22N4O.C17H21N3.C16H20N4.C16H23N.C15H18N4.C15H20N2.C15H19NO2.C14H18.C13H14N2O2.C13H19NO2.C10H12N4/c1-17(2,3)13-5-6-15-14(9-13)16(19-21(15)7-8-22)12-10-18-20(4)11-12;1-17(2,3)16-9-13-7-6-12(8-15(13)20(16)5)14-10-18-19(4)11-14;1-16(2,3)12-6-7-14-13(8-12)15(18-20(14)5)11-9-17-19(4)10-11;1-11(2)15-12(3)13-9-7-8-10-14(13)17(15)16(4,5)6;1-15(2,3)11-5-6-13-12(7-11)14(18-17-13)10-8-16-19(4)9-10;1-15(2,3)11-7-8-13-12(9-11)14(10-5-6-10)16-17(13)4;1-15(2,3)12-9-16(4)13-8-10(14(17)18-5)6-7-11(12)13;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-9(2)13(16)15-11-5-3-4-10(6-11)12-7-14-8-17-12;1-9(2)13(15)14-11-6-5-7-12(8-11)16-10(3)4;1-7(2)8-4-3-5-9(6-8)10-11-13-14-12-10/h5-6,9-11,22H,7-8H2,1-4H3;6-11H,1-5H3;6-10H,1-5H3;7-11H,1-6H3;5-9H,1-4H3,(H,17,18);7-10H,5-6H2,1-4H3;6-9H,1-5H3;3-4,6,9-11H,5,7-8H2,1-2H3;3-9H,1-2H3,(H,15,16);5-10H,1-4H3,(H,14,15);3-7H,1-2H3,(H,11,12,13,14)/b;;;;;;;13-10+;;;.
What are the key properties of 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole?
5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole has a molecular weight of 2617.59 g/mol, XLogP of 37.03, 19 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;5-(3-propan-2-ylphenyl)-2H-tetrazole is sourced from PubChem (CID 161469967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).