methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate

C20H16N2O3 — CID 11709730

IUPACmethyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c3ccccc3nn2Cc2ccco2)cc1
InChIInChI=1S/C20H16N2O3/c1-24-20(23)15-10-8-14(9-11-15)19-17-6-2-3-7-18(17)21-22(19)13-16-5-4-12-25-16/h2-12H,13H2,1H3
InChIKeyACUBWGGBSALDLC-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.13
Rot. Bonds4

About methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate

methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate (PubChem CID 11709730) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate
PubChem CID11709730
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Namemethyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c3ccccc3nn2Cc2ccco2)cc1
InChIInChI=1S/C20H16N2O3/c1-24-20(23)15-10-8-14(9-11-15)19-17-6-2-3-7-18(17)21-22(19)13-16-5-4-12-25-16/h2-12H,13H2,1H3
InChIKeyACUBWGGBSALDLC-UHFFFAOYSA-N
XLogP4.13
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5'-Hydroxymethyl-2'-furyl)-1-benzylindazole
CID 5712
1-Benzyl-3-(4'-ethoxycarbonylphenyl)indazole
CID 10132921
Methyl 2-[3-(3-ethoxyphenyl)indazol-1-yl]acetate
CID 73505630
Methyl 2-[3-(3-phenoxyphenyl)indazol-1-yl]acetate
CID 73505832
Methyl 2-[3-[3-(2-phenylethoxy)phenyl]indazol-1-yl]acetate
CID 73506046
Methyl 2-[3-[3-(cyclohexylmethoxy)phenyl]indazol-1-yl]acetate
CID 73506047
Methyl 2-[3-[3-(2-methylpropoxy)phenyl]indazol-1-yl]acetate
CID 73506048
Methyl 2-[3-[3-(2-cyclohexylethoxy)phenyl]indazol-1-yl]acetate
CID 73506260
Methyl 2-[3-[3-(3-methylbutoxy)phenyl]indazol-1-yl]acetate
CID 73506261
Methyl 2-[3-[3-(3,3-dimethylbutoxy)phenyl]indazol-1-yl]acetate
CID 73507127
1-Benzyl-3-(5-methoxycarbonyl-2-furyl)indazole
CID 9967388
Ethyl 4-(1-ethylindazol-3-yl)benzoate
CID 44451602

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate?
The IUPAC name of methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate (CID 11709730) is methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate?
The canonical SMILES for methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate is COC(=O)c1ccc(-c2c3ccccc3nn2Cc2ccco2)cc1.
What is the InChIKey of methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate?
The InChIKey is ACUBWGGBSALDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-24-20(23)15-10-8-14(9-11-15)19-17-6-2-3-7-18(17)21-22(19)13-16-5-4-12-25-16/h2-12H,13H2,1H3.
What are the key properties of methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate?
methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate has a molecular weight of 332.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(furan-2-ylmethyl)indazol-3-yl]benzoate is sourced from PubChem (CID 11709730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).