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

C88H122Br2N10O11 — CID 161270293

IUPAC5-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
SMILESBrc1ccc2[nH]ncc2c1.C.C.C.C.C=Cc1ccc2c(cnn2C2CCC(C(=O)OCC)CC2)c1.CCOC(=O)C1CCC(O)CC1.CCOC(=O)C1CCC(n2ncc3cc(Br)ccc32)CC1.CCOC(=O)C1CCC(n2ncc3cc(CC)ccc32)CC1.CCc1ccc2c(cnn2C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H24N2O2.C18H22N2O2.C16H19BrN2O2.C16H20N2O2.C9H16O3.C7H5BrN2.4CH4/c2*1-3-13-5-10-17-15(11-13)12-19-20(17)16-8-6-14(7-9-16)18(21)22-4-2;1-2-21-16(20)11-3-6-14(7-4-11)19-15-8-5-13(17)9-12(15)10-18-19;1-2-11-3-8-15-13(9-11)10-17-18(15)14-6-4-12(5-7-14)16(19)20;1-2-12-9(11)7-3-5-8(10)6-4-7;8-6-1-2-7-5(3-6)4-9-10-7;;;;/h5,10-12,14,16H,3-4,6-9H2,1-2H3;3,5,10-12,14,16H,1,4,6-9H2,2H3;5,8-11,14H,2-4,6-7H2,1H3;3,8-10,12,14H,2,4-7H2,1H3,(H,19,20);7-8,10H,2-6H2,1H3;1-4H,(H,9,10);4*1H4
InChIKeyVDSKPTGLFATKIO-UHFFFAOYSA-N
MW1655.81 g/mol
LogP21.34
Rot. Bonds16

About 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

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 (PubChem CID 161270293) has the molecular formula C88H122Br2N10O11 and a molecular weight of 1655.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID161270293
Molecular FormulaC88H122Br2N10O11
Molecular Weight1655.81 g/mol
Exact Mass1652.77
IUPAC Name5-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
SMILESBrc1ccc2[nH]ncc2c1.C.C.C.C.C=Cc1ccc2c(cnn2C2CCC(C(=O)OCC)CC2)c1.CCOC(=O)C1CCC(O)CC1.CCOC(=O)C1CCC(n2ncc3cc(Br)ccc32)CC1.CCOC(=O)C1CCC(n2ncc3cc(CC)ccc32)CC1.CCc1ccc2c(cnn2C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H24N2O2.C18H22N2O2.C16H19BrN2O2.C16H20N2O2.C9H16O3.C7H5BrN2.4CH4/c2*1-3-13-5-10-17-15(11-13)12-19-20(17)16-8-6-14(7-9-16)18(21)22-4-2;1-2-21-16(20)11-3-6-14(7-4-11)19-15-8-5-13(17)9-12(15)10-18-19;1-2-11-3-8-15-13(9-11)10-17-18(15)14-6-4-12(5-7-14)16(19)20;1-2-12-9(11)7-3-5-8(10)6-4-7;8-6-1-2-7-5(3-6)4-9-10-7;;;;/h5,10-12,14,16H,3-4,6-9H2,1-2H3;3,5,10-12,14,16H,1,4,6-9H2,2H3;5,8-11,14H,2-4,6-7H2,1H3;3,8-10,12,14H,2,4-7H2,1H3,(H,19,20);7-8,10H,2-6H2,1H3;1-4H,(H,9,10);4*1H4
InChIKeyVDSKPTGLFATKIO-UHFFFAOYSA-N
XLogP21.34
TPSA262.69 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001655.81
LogP ≤ 521.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;ethyl 2-(1H-indazol-5-yl)-2-oxoacetate;ethyl 2-[1-(oxan-2-yl)indazol-5-yl]-2-oxoacetate;2-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-oxoacetic acid;methyl 2-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-oxoacetate;methyl 2-[2-[(4-fluorophenyl)methyl]indazol-5-yl]-2-oxoacetate
CID 157833757
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
1-benzyl-5-bromoindazole;3-(1-benzylindazol-5-yl)butan-2-one;5-bromo-1H-indazole;4-bromo-2-methylaniline;4-bromo-2-methylbenzenediazonium;N-(4-bromo-2-methylphenyl)acetamide;3-(1H-indazol-5-yl)butan-2-one;2-(1H-indazol-5-yl)propanoic acid;2-methylaniline;N-(2-methylphenyl)acetamide;trifluoroborane;fluoride
CID 159363113
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;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 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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2[nH]ncc2c1.C.C.C.C.C=Cc1ccc2c(cnn2C2CCC(C(=O)OCC)CC2)c1.CCOC(=O)C1CCC(O)CC1.CCOC(=O)C1CCC(n2ncc3cc(Br)ccc32)CC1.CCOC(=O)C1CCC(n2ncc3cc(CC)ccc32)CC1.CCc1ccc2c(cnn2C2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 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?
The InChIKey is VDSKPTGLFATKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.C18H22N2O2.C16H19BrN2O2.C16H20N2O2.C9H16O3.C7H5BrN2.4CH4/c2*1-3-13-5-10-17-15(11-13)12-19-20(17)16-8-6-14(7-9-16)18(21)22-4-2;1-2-21-16(20)11-3-6-14(7-4-11)19-15-8-5-13(17)9-12(15)10-18-19;1-2-11-3-8-15-13(9-11)10-17-18(15)14-6-4-12(5-7-14)16(19)20;1-2-12-9(11)7-3-5-8(10)6-4-7;8-6-1-2-7-5(3-6)4-9-10-7;;;;/h5,10-12,14,16H,3-4,6-9H2,1-2H3;3,5,10-12,14,16H,1,4,6-9H2,2H3;5,8-11,14H,2-4,6-7H2,1H3;3,8-10,12,14H,2,4-7H2,1H3,(H,19,20);7-8,10H,2-6H2,1H3;1-4H,(H,9,10);4*1H4.
What are the key properties of 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?
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 has a molecular weight of 1655.81 g/mol, XLogP of 21.34, 16 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161270293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).