4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C87H102B3Br5N10O8 — CID 158442661

IUPAC4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrCC1CC1.Brc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2CC2CC2)c1.Brc1ccc2nn(CC3CC3)cc2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(cnn3CC3CC3)c2)OC1(C)C.O=Cc1ccc(-c2ccc3c(cnn3CC3CC3)c2)cc1.O=Cc1ccc(Br)cc1
InChIInChI=1S/C18H16N2O.C17H23BN2O2.C12H24B2O4.2C11H11BrN2.C7H5BrN2.C7H5BrO.C4H7Br/c21-12-14-3-5-15(6-4-14)16-7-8-18-17(9-16)10-19-20(18)11-13-1-2-13;1-16(2)17(3,4)22-18(21-16)14-7-8-15-13(9-14)10-19-20(15)11-12-5-6-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-10-3-4-11-9(5-10)6-13-14(11)7-8-1-2-8;12-10-3-4-11-9(5-10)7-14(13-11)6-8-1-2-8;8-6-1-2-7-5(3-6)4-9-10-7;8-7-3-1-6(5-9)2-4-7;5-3-4-1-2-4/h3-10,12-13H,1-2,11H2;7-10,12H,5-6,11H2,1-4H3;1-8H3;3-6,8H,1-2,7H2;3-5,7-8H,1-2,6H2;1-4H,(H,9,10);1-5H;4H,1-3H2
InChIKeyHCZUBLJWENMMKQ-UHFFFAOYSA-N
MW1847.79 g/mol
LogP21.72
Rot. Bonds14

About 4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158442661) has the molecular formula C87H102B3Br5N10O8 and a molecular weight of 1847.79 g/mol. Its IUPAC name is 4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID158442661
Molecular FormulaC87H102B3Br5N10O8
Molecular Weight1847.79 g/mol
Exact Mass1842.41
IUPAC Name4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrCC1CC1.Brc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2CC2CC2)c1.Brc1ccc2nn(CC3CC3)cc2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(cnn3CC3CC3)c2)OC1(C)C.O=Cc1ccc(-c2ccc3c(cnn3CC3CC3)c2)cc1.O=Cc1ccc(Br)cc1
InChIInChI=1S/C18H16N2O.C17H23BN2O2.C12H24B2O4.2C11H11BrN2.C7H5BrN2.C7H5BrO.C4H7Br/c21-12-14-3-5-15(6-4-14)16-7-8-18-17(9-16)10-19-20(18)11-13-1-2-13;1-16(2)17(3,4)22-18(21-16)14-7-8-15-13(9-14)10-19-20(15)11-12-5-6-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-10-3-4-11-9(5-10)6-13-14(11)7-8-1-2-8;12-10-3-4-11-9(5-10)7-14(13-11)6-8-1-2-8;8-6-1-2-7-5(3-6)4-9-10-7;8-7-3-1-6(5-9)2-4-7;5-3-4-1-2-4/h3-10,12-13H,1-2,11H2;7-10,12H,5-6,11H2,1-4H3;1-8H3;3-6,8H,1-2,7H2;3-5,7-8H,1-2,6H2;1-4H,(H,9,10);1-5H;4H,1-3H2
InChIKeyHCZUBLJWENMMKQ-UHFFFAOYSA-N
XLogP21.72
TPSA189.48 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.79
LogP ≤ 521.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

4-bromobenzaldehyde;5-bromo-2-(cyclopropylmethyl)-3aH-indazol-2-ium;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161774180
5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;1-methylindazole-5-carbaldehyde
CID 162031099
5-bromo-2-fluorobenzaldehyde;5-bromo-1H-indazole;5-bromo-1-methylindazole;5-bromo-2-methylindazole;ethane;hydroxylamine;1-methylindazole-5-carbaldehyde
CID 162204210

Frequently Asked Questions

What is the IUPAC name of 4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158442661) is 4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is BrCC1CC1.Brc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2CC2CC2)c1.Brc1ccc2nn(CC3CC3)cc2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(cnn3CC3CC3)c2)OC1(C)C.O=Cc1ccc(-c2ccc3c(cnn3CC3CC3)c2)cc1.O=Cc1ccc(Br)cc1.
What is the InChIKey of 4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is HCZUBLJWENMMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O.C17H23BN2O2.C12H24B2O4.2C11H11BrN2.C7H5BrN2.C7H5BrO.C4H7Br/c21-12-14-3-5-15(6-4-14)16-7-8-18-17(9-16)10-19-20(18)11-13-1-2-13;1-16(2)17(3,4)22-18(21-16)14-7-8-15-13(9-14)10-19-20(15)11-12-5-6-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-10-3-4-11-9(5-10)6-13-14(11)7-8-1-2-8;12-10-3-4-11-9(5-10)7-14(13-11)6-8-1-2-8;8-6-1-2-7-5(3-6)4-9-10-7;8-7-3-1-6(5-9)2-4-7;5-3-4-1-2-4/h3-10,12-13H,1-2,11H2;7-10,12H,5-6,11H2,1-4H3;1-8H3;3-6,8H,1-2,7H2;3-5,7-8H,1-2,6H2;1-4H,(H,9,10);1-5H;4H,1-3H2.
What are the key properties of 4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1847.79 g/mol, XLogP of 21.72, 14 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzaldehyde;5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-2-(cyclopropylmethyl)indazole;5-bromo-1H-indazole;bromomethylcyclopropane;4-[1-(cyclopropylmethyl)indazol-5-yl]benzaldehyde;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158442661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).