[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole

C83H68ClN9O6 — CID 160591290

IUPAC[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
SMILESCCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1.Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3ccccc23)cc1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C23H20N2O2.C21H17ClN2.C20H15N3O2.C19H16N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17;1-15-6-10-17(11-7-15)21-19-4-2-3-5-20(19)24(23-21)14-16-8-12-18(22)13-9-16;1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)22(21-20)16-10-12-17(13-11-16)23(24)25;22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h3-15H,2,16H2,1H3;2-13H,14H2,1H3;2-13H,1H3;1-11,22H,12-13H2
InChIKeyRDBAGUARTHKNMM-UHFFFAOYSA-N
MW1322.97 g/mol
LogP19.39
Rot. Bonds15

About [5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole

[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole (PubChem CID 160591290) has the molecular formula C83H68ClN9O6 and a molecular weight of 1322.97 g/mol. Its IUPAC name is [5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole.

Molecular Properties

Compound Name[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
PubChem CID160591290
Molecular FormulaC83H68ClN9O6
Molecular Weight1322.97 g/mol
Exact Mass1321.50
IUPAC Name[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
SMILESCCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1.Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3ccccc23)cc1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C23H20N2O2.C21H17ClN2.C20H15N3O2.C19H16N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17;1-15-6-10-17(11-7-15)21-19-4-2-3-5-20(19)24(23-21)14-16-8-12-18(22)13-9-16;1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)22(21-20)16-10-12-17(13-11-16)23(24)25;22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h3-15H,2,16H2,1H3;2-13H,14H2,1H3;2-13H,1H3;1-11,22H,12-13H2
InChIKeyRDBAGUARTHKNMM-UHFFFAOYSA-N
XLogP19.39
TPSA174.09 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.97
LogP ≤ 519.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-(1-Benzyl-6-chloroindazol-3-yl)furan-2-yl]methanol;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol
CID 140093043
4-[[5-(1-Benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
CID 157169359
5-(1-Benzylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzylindazol-3-yl)furan-2-yl]methanol
CID 157419487
N-[[5-(1-benzylindazol-3-yl)furan-2-yl]methyl]-N-ethylethanamine;1-benzyl-3-(5-methylfuran-2-yl)indazole;methyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate;5-(1-phenylindazol-3-yl)furan-2-carboxylic acid;[5-(1-phenylindazol-3-yl)furan-2-yl]methanol
CID 158269961
3-(1-Benzylindazol-3-yl)benzoic acid;5-(1-benzyl-6-methylindazol-3-yl)furan-2-carboxylic acid;[5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl]methanol
CID 159312549
[5-(1-Benzylindazol-3-yl)furan-2-yl]methanol;4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid
CID 159546230
4-[[5-(1-benzylindazol-3-yl)furan-2-yl]methoxy]-4-oxobutanoic acid;1-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole;3-(4-methylphenyl)-1H-indazole;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
CID 160200772
CID 160476067
CID 160476067
[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate;3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]indazole
CID 160657030
5-(1-Benzylindazol-3-yl)furan-2-carboxylic acid;ethyl 4-(1-benzylindazol-3-yl)benzoate
CID 160679130
[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-benzyl-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;methyl 5-(1H-indazol-3-yl)furan-2-carboxylate
CID 161504776

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?
The IUPAC name of [5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole (CID 160591290) is [5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole.
What is the SMILES notation for [5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?
The canonical SMILES for [5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole is CCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1.Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1.Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3ccccc23)cc1.OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of [5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?
The InChIKey is RDBAGUARTHKNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2.C21H17ClN2.C20H15N3O2.C19H16N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17;1-15-6-10-17(11-7-15)21-19-4-2-3-5-20(19)24(23-21)14-16-8-12-18(22)13-9-16;1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)22(21-20)16-10-12-17(13-11-16)23(24)25;22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h3-15H,2,16H2,1H3;2-13H,14H2,1H3;2-13H,1H3;1-11,22H,12-13H2.
What are the key properties of [5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?
[5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole has a molecular weight of 1322.97 g/mol, XLogP of 19.39, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzylindazol-3-yl)furan-2-yl]methanol;1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole;ethyl 4-(1-benzylindazol-3-yl)benzoate;3-(4-methylphenyl)-1-(4-nitrophenyl)indazole is sourced from PubChem (CID 160591290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).