5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride

C95H144Br2ClN15O9 — CID 162211947

IUPAC5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride
SMILESBrc1ccc2[nH]ncc2c1.C.C.C.C.C=Cc1ccc2c(cnn2C2CCC(NC(=O)OC(C)(C)C)CC2)c1.CC(C)(C)OC(=O)NC1CCC(O)CC1.CC(C)(C)OC(=O)NC1CCC(n2ncc3cc(Br)ccc32)CC1.CCc1ccc2c(cnn2C2CCC(N)CC2)c1.CCc1ccc2c(cnn2C2CCC(NC(=O)OC(C)(C)C)CC2)c1.Cl
InChIInChI=1S/C20H29N3O2.C20H27N3O2.C18H24BrN3O2.C15H21N3.C11H21NO3.C7H5BrN2.4CH4.ClH/c2*1-5-14-6-11-18-15(12-14)13-21-23(18)17-9-7-16(8-10-17)22-19(24)25-20(2,3)4;1-18(2,3)24-17(23)21-14-5-7-15(8-6-14)22-16-9-4-13(19)10-12(16)11-20-22;1-2-11-3-8-15-12(9-11)10-17-18(15)14-6-4-13(16)5-7-14;1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8;8-6-1-2-7-5(3-6)4-9-10-7;;;;;/h6,11-13,16-17H,5,7-10H2,1-4H3,(H,22,24);5-6,11-13,16-17H,1,7-10H2,2-4H3,(H,22,24);4,9-11,14-15H,5-8H2,1-3H3,(H,21,23);3,8-10,13-14H,2,4-7,16H2,1H3;8-9,13H,4-7H2,1-3H3,(H,12,14);1-4H,(H,9,10);4*1H4;1H
InChIKeyOFRDMWBTMUYLIB-UHFFFAOYSA-N
MW1835.55 g/mol
LogP24.25
Rot. Bonds11

About 5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride

5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride (PubChem CID 162211947) has the molecular formula C95H144Br2ClN15O9 and a molecular weight of 1835.55 g/mol. Its IUPAC name is 5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride.

Molecular Properties

Compound Name5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride
PubChem CID162211947
Molecular FormulaC95H144Br2ClN15O9
Molecular Weight1835.55 g/mol
Exact Mass1831.93
IUPAC Name5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride
SMILESBrc1ccc2[nH]ncc2c1.C.C.C.C.C=Cc1ccc2c(cnn2C2CCC(NC(=O)OC(C)(C)C)CC2)c1.CC(C)(C)OC(=O)NC1CCC(O)CC1.CC(C)(C)OC(=O)NC1CCC(n2ncc3cc(Br)ccc32)CC1.CCc1ccc2c(cnn2C2CCC(N)CC2)c1.CCc1ccc2c(cnn2C2CCC(NC(=O)OC(C)(C)C)CC2)c1.Cl
InChIInChI=1S/C20H29N3O2.C20H27N3O2.C18H24BrN3O2.C15H21N3.C11H21NO3.C7H5BrN2.4CH4.ClH/c2*1-5-14-6-11-18-15(12-14)13-21-23(18)17-9-7-16(8-10-17)22-19(24)25-20(2,3)4;1-18(2,3)24-17(23)21-14-5-7-15(8-6-14)22-16-9-4-13(19)10-12(16)11-20-22;1-2-11-3-8-15-12(9-11)10-17-18(15)14-6-4-13(16)5-7-14;1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8;8-6-1-2-7-5(3-6)4-9-10-7;;;;;/h6,11-13,16-17H,5,7-10H2,1-4H3,(H,22,24);5-6,11-13,16-17H,1,7-10H2,2-4H3,(H,22,24);4,9-11,14-15H,5-8H2,1-3H3,(H,21,23);3,8-10,13-14H,2,4-7,16H2,1H3;8-9,13H,4-7H2,1-3H3,(H,12,14);1-4H,(H,9,10);4*1H4;1H
InChIKeyOFRDMWBTMUYLIB-UHFFFAOYSA-N
XLogP24.25
TPSA299.53 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001835.55
LogP ≤ 524.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1H-indazole;tert-butyl 4-(5-bromoindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methylindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;methane;5-methyl-1-piperidin-4-ylindazole;hydrochloride
CID 157748622
5-bromo-1H-indazole;tert-butyl N-(4-hydroxycyclohexyl)carbamate;ethyl 4-(5-bromoindazol-1-yl)cyclohexane-1-carboxylate;ethyl 4-(5-ethenylindazol-1-yl)cyclohexane-1-carboxylate;ethyl 4-(5-ethylindazol-1-yl)cyclohexane-1-carboxylate;4-(5-ethylindazol-1-yl)cyclohexane-1-carboxylic acid;methane
CID 158807909
5-bromo-1H-indazole;tert-butyl 4-(5-bromoindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methylindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;methane;5-methyl-1-piperidin-4-ylindazole;hydrochloride
CID 159653746
5-bromo-1H-indazole;ethyl 4-(5-bromoindazol-1-yl)cyclohexane-1-carboxylate;ethyl 4-(5-ethenylindazol-1-yl)cyclohexane-1-carboxylate;ethyl 4-(5-ethylindazol-1-yl)cyclohexane-1-carboxylate;ethyl 4-hydroxycyclohexane-1-carboxylate;4-(5-ethylindazol-1-yl)cyclohexane-1-carboxylic acid;methane
CID 160544031
5-bromo-1H-indazole;ethyl 4-(5-bromoindazol-1-yl)cyclohexane-1-carboxylate;ethyl 4-(5-ethenylindazol-1-yl)cyclohexane-1-carboxylate;ethyl 4-(5-ethylindazol-1-yl)cyclohexane-1-carboxylate;ethyl 4-hydroxycyclohexane-1-carboxylate;4-(5-ethylindazol-1-yl)cyclohexane-1-carboxylic acid;methane
CID 161270293
3-acetamido-2-methylbutanoic acid;actinium;3-bromo-1-methylindazole;bis(3-butyl-1-methylindazole);ethane;1H-indazole;methane;3-methylbut-1-yne;1-methylindazole;3-(1-methylindazol-3-yl)propan-1-ol;1-methyl-3-(3-methylbut-1-ynyl)indazole;molecular bromine;hydrate
CID 161640534
5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride
CID 161954497
5-bromo-1H-indazole;tert-butyl 4-(5-bromoindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methylindazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;methane;5-methyl-1-piperidin-4-ylindazole;hydrochloride
CID 162159365
(1R)-N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine;bis((1R)-N-benzyl-6-(1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine);tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
CID 163813247

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride?
The IUPAC name of 5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride (CID 162211947) is 5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride.
What is the SMILES notation for 5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride?
The canonical SMILES for 5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride is Brc1ccc2[nH]ncc2c1.C.C.C.C.C=Cc1ccc2c(cnn2C2CCC(NC(=O)OC(C)(C)C)CC2)c1.CC(C)(C)OC(=O)NC1CCC(O)CC1.CC(C)(C)OC(=O)NC1CCC(n2ncc3cc(Br)ccc32)CC1.CCc1ccc2c(cnn2C2CCC(N)CC2)c1.CCc1ccc2c(cnn2C2CCC(NC(=O)OC(C)(C)C)CC2)c1.Cl.
What is the InChIKey of 5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride?
The InChIKey is OFRDMWBTMUYLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.C20H27N3O2.C18H24BrN3O2.C15H21N3.C11H21NO3.C7H5BrN2.4CH4.ClH/c2*1-5-14-6-11-18-15(12-14)13-21-23(18)17-9-7-16(8-10-17)22-19(24)25-20(2,3)4;1-18(2,3)24-17(23)21-14-5-7-15(8-6-14)22-16-9-4-13(19)10-12(16)11-20-22;1-2-11-3-8-15-12(9-11)10-17-18(15)14-6-4-13(16)5-7-14;1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8;8-6-1-2-7-5(3-6)4-9-10-7;;;;;/h6,11-13,16-17H,5,7-10H2,1-4H3,(H,22,24);5-6,11-13,16-17H,1,7-10H2,2-4H3,(H,22,24);4,9-11,14-15H,5-8H2,1-3H3,(H,21,23);3,8-10,13-14H,2,4-7,16H2,1H3;8-9,13H,4-7H2,1-3H3,(H,12,14);1-4H,(H,9,10);4*1H4;1H.
What are the key properties of 5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride?
5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride has a molecular weight of 1835.55 g/mol, XLogP of 24.25, 11 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indazole;tert-butyl N-[4-(5-bromoindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethenylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-[4-(5-ethylindazol-1-yl)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;4-(5-ethylindazol-1-yl)cyclohexan-1-amine;methane;hydrochloride is sourced from PubChem (CID 162211947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).