3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine

C86H85F15N12O13 — CID 167625644

IUPAC3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine
SMILESCCOC(=O)c1ccc(C(F)(F)F)c(OCC)c1.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)O)ccc1C(F)(F)F.CNCc1ccc2[nH]ncc2c1.CNCc1ccc2cn[nH]c2c1.O=C(O)c1ccc(C(F)(F)F)c(O)c1
InChIInChI=1S/2C19H18F3N3O2.C12H13F3O3.C10H9F3O3.2C9H11N3.C8H5F3O3/c1-3-27-17-9-13(5-6-15(17)19(20,21)22)18(26)25(2)11-12-4-7-16-14(8-12)10-23-24-16;1-3-27-17-9-13(6-7-15(17)19(20,21)22)18(26)25(2)11-12-4-5-14-10-23-24-16(14)8-12;1-3-17-10-7-8(11(16)18-4-2)5-6-9(10)12(13,14)15;1-2-16-8-5-6(9(14)15)3-4-7(8)10(11,12)13;1-10-5-7-2-3-9-8(4-7)6-11-12-9;1-10-5-7-2-3-8-6-11-12-9(8)4-7;9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h2*4-10H,3,11H2,1-2H3,(H,23,24);5-7H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,14,15);2*2-4,6,10H,5H2,1H3,(H,11,12);1-3,12H,(H,13,14)
InChIKeyNBGSNPDZDBGRNQ-UHFFFAOYSA-N
MW1779.67 g/mol
LogP19.26
Rot. Bonds22

About 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine

3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine (PubChem CID 167625644) has the molecular formula C86H85F15N12O13 and a molecular weight of 1779.67 g/mol. Its IUPAC name is 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine
PubChem CID167625644
Molecular FormulaC86H85F15N12O13
Molecular Weight1779.67 g/mol
Exact Mass1778.61
IUPAC Name3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine
SMILESCCOC(=O)c1ccc(C(F)(F)F)c(OCC)c1.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)O)ccc1C(F)(F)F.CNCc1ccc2[nH]ncc2c1.CNCc1ccc2cn[nH]c2c1.O=C(O)c1ccc(C(F)(F)F)c(O)c1
InChIInChI=1S/2C19H18F3N3O2.C12H13F3O3.C10H9F3O3.2C9H11N3.C8H5F3O3/c1-3-27-17-9-13(5-6-15(17)19(20,21)22)18(26)25(2)11-12-4-7-16-14(8-12)10-23-24-16;1-3-27-17-9-13(6-7-15(17)19(20,21)22)18(26)25(2)11-12-4-5-14-10-23-24-16(14)8-12;1-3-17-10-7-8(11(16)18-4-2)5-6-9(10)12(13,14)15;1-2-16-8-5-6(9(14)15)3-4-7(8)10(11,12)13;1-10-5-7-2-3-9-8(4-7)6-11-12-9;1-10-5-7-2-3-8-6-11-12-9(8)4-7;9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h2*4-10H,3,11H2,1-2H3,(H,23,24);5-7H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,14,15);2*2-4,6,10H,5H2,1H3,(H,11,12);1-3,12H,(H,13,14)
InChIKeyNBGSNPDZDBGRNQ-UHFFFAOYSA-N
XLogP19.26
TPSA337.45 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001779.67
LogP ≤ 519.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine with MolForge

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Related Compounds

magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide
CID 161054921
3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide
CID 167547707
magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide
CID 167591724
3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 167639007
4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 167649035
5-ethoxy-2-[[[7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazol-5-yl]methylamino]methyl]-4-(3-fluorophenyl)-N-methyl-N-[[4-(methylaminomethyl)-1H-indazol-7-yl]methyl]benzamide
CID 171106793
[7-[[[5-ethoxy-2-[[[7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazol-5-yl]methyl-methylamino]methyl]-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazol-5-yl] acetate
CID 171106821
2-[2-[[1-[[2-[amino-[3-[6-[[2-(carboxymethyl)phenoxy]methyl]-1H-indazol-4-yl]phenyl]methyl]cyclopropyl]methyl]-4-[3-(aminomethyl)phenyl]indazole-6-carbonyl]amino]phenyl]acetic acid
CID 139576307
4-hydroxy-6-[3-hydroxy-7-[[6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-4-yl]oxy]naphthalen-1-yl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 142320822
ethyl 3-(5-propan-2-ylindazol-2-yl)propanoate;methyl 3-methoxy-4-[(6-propan-2-ylindazol-2-yl)methyl]benzoate;2-methyl-6-propan-2-ylindazole;N-methyl-3-(5-propan-2-ylindazol-2-yl)propanamide
CID 158166108
(2,3-difluorophenyl)-[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;[2,2-dimethyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 158688545
tert-butyl (3R,4R)-3-amino-4-[[4-(6-ethoxy-2-fluoro-3-methoxybenzoyl)benzoyl]amino]pyrrolidine-1-carboxylate;N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-6-carboxamide;1H-indazole-6-carboxylic acid
CID 159087439

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine?
The IUPAC name of 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine (CID 167625644) is 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine.
What is the SMILES notation for 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine?
The canonical SMILES for 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine is CCOC(=O)c1ccc(C(F)(F)F)c(OCC)c1.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)O)ccc1C(F)(F)F.CNCc1ccc2[nH]ncc2c1.CNCc1ccc2cn[nH]c2c1.O=C(O)c1ccc(C(F)(F)F)c(O)c1.
What is the InChIKey of 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine?
The InChIKey is NBGSNPDZDBGRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H18F3N3O2.C12H13F3O3.C10H9F3O3.2C9H11N3.C8H5F3O3/c1-3-27-17-9-13(5-6-15(17)19(20,21)22)18(26)25(2)11-12-4-7-16-14(8-12)10-23-24-16;1-3-27-17-9-13(6-7-15(17)19(20,21)22)18(26)25(2)11-12-4-5-14-10-23-24-16(14)8-12;1-3-17-10-7-8(11(16)18-4-2)5-6-9(10)12(13,14)15;1-2-16-8-5-6(9(14)15)3-4-7(8)10(11,12)13;1-10-5-7-2-3-9-8(4-7)6-11-12-9;1-10-5-7-2-3-8-6-11-12-9(8)4-7;9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h2*4-10H,3,11H2,1-2H3,(H,23,24);5-7H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,14,15);2*2-4,6,10H,5H2,1H3,(H,11,12);1-3,12H,(H,13,14).
What are the key properties of 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine?
3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine has a molecular weight of 1779.67 g/mol, XLogP of 19.26, 22 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine is sourced from PubChem (CID 167625644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).