methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate

C17H15BrN2O2 — CID 153439790

IUPACmethyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate
SMILESCOC(=O)c1cccc2cnn(C(C)c3ccc(Br)cc3)c12
InChIInChI=1S/C17H15BrN2O2/c1-11(12-6-8-14(18)9-7-12)20-16-13(10-19-20)4-3-5-15(16)17(21)22-2/h3-11H,1-2H3
InChIKeyQJJITSDWUJKRPT-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.19
Rot. Bonds3

About methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate

methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate (PubChem CID 153439790) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate
PubChem CID153439790
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Namemethyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate
SMILESCOC(=O)c1cccc2cnn(C(C)c3ccc(Br)cc3)c12
InChIInChI=1S/C17H15BrN2O2/c1-11(12-6-8-14(18)9-7-12)20-16-13(10-19-20)4-3-5-15(16)17(21)22-2/h3-11H,1-2H3
InChIKeyQJJITSDWUJKRPT-UHFFFAOYSA-N
XLogP4.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-(4-bromophenyl)ethyl]-4-chloroindazole-7-carboxylate
CID 153439806
methyl 1-ethynylindazole-7-carboxylate
CID 152655100
methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
CID 60722191
methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 167405141
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methyl 5-amino-1-[1-(4-bromophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545043
methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate
CID 176741521
methyl 1-[dideuterio-(2,3-difluorophenyl)methyl]indazole-7-carboxylate
CID 155665092
methyl 2-[[2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetyl]amino]benzoate
CID 9263761
methyl 2-[1-(4-bromophenyl)ethylamino]-5-chlorobenzoate
CID 43678801
methyl 2-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]benzoate
CID 29453906
methyl 1-formylindole-7-carboxylate
CID 139994209

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate?
The IUPAC name of methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate (CID 153439790) is methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate.
What is the SMILES notation for methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate?
The canonical SMILES for methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate is COC(=O)c1cccc2cnn(C(C)c3ccc(Br)cc3)c12.
What is the InChIKey of methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate?
The InChIKey is QJJITSDWUJKRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11(12-6-8-14(18)9-7-12)20-16-13(10-19-20)4-3-5-15(16)17(21)22-2/h3-11H,1-2H3.
What are the key properties of methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate?
methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate has a molecular weight of 359.22 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(4-bromophenyl)ethyl]indazole-7-carboxylate is sourced from PubChem (CID 153439790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).