2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid

C111H111F9N16O12 — CID 163929888

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1ccc(Oc2cc(C)cc(C(F)(F)F)c2)cc1C(=O)O.CCOc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1Cc1ccccc1.CCOc1nn(-c2ccccn2)c(C)c1Cc1ccccc1.CCOc1nn(-c2ncc(C)cn2)c(C)c1Cc1ccccc1.CCOc1nn(-c2ncc(CC)cn2)c(C)c1Cc1ccccc1.O=C(O)c1cc(OCc2ccccc2C(F)(F)F)ccc1NC(=O)C1CC1
InChIInChI=1S/C19H18F3N3O.C19H16F3NO4.C19H22N4O.C18H16F3NO4.C18H20N4O.C18H19N3O/c1-3-26-18-16(11-14-7-5-4-6-8-14)13(2)25(24-18)17-10-9-15(12-23-17)19(20,21)22;20-19(21,22)15-4-2-1-3-12(15)10-27-13-7-8-16(14(9-13)18(25)26)23-17(24)11-5-6-11;1-4-15-12-20-19(21-13-15)23-14(3)17(18(22-23)24-5-2)11-16-9-7-6-8-10-16;1-3-16(23)22-15-5-4-12(9-14(15)17(24)25)26-13-7-10(2)6-11(8-13)18(19,20)21;1-4-23-17-16(10-15-8-6-5-7-9-15)14(3)22(21-17)18-19-11-13(2)12-20-18;1-3-22-18-16(13-15-9-5-4-6-10-15)14(2)21(20-18)17-11-7-8-12-19-17/h4-10,12H,3,11H2,1-2H3;1-4,7-9,11H,5-6,10H2,(H,23,24)(H,25,26);6-10,12-13H,4-5,11H2,1-3H3;4-9H,3H2,1-2H3,(H,22,23)(H,24,25);5-9,11-12H,4,10H2,1-3H3;4-12H,3,13H2,1-2H3
InChIKeyRHUBHPXSNWRTGY-UHFFFAOYSA-N
MW2032.19 g/mol
LogP24.12
Rot. Bonds32

About 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid (PubChem CID 163929888) has the molecular formula C111H111F9N16O12 and a molecular weight of 2032.19 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid
PubChem CID163929888
Molecular FormulaC111H111F9N16O12
Molecular Weight2032.19 g/mol
Exact Mass2030.84
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1ccc(Oc2cc(C)cc(C(F)(F)F)c2)cc1C(=O)O.CCOc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1Cc1ccccc1.CCOc1nn(-c2ccccn2)c(C)c1Cc1ccccc1.CCOc1nn(-c2ncc(C)cn2)c(C)c1Cc1ccccc1.CCOc1nn(-c2ncc(CC)cn2)c(C)c1Cc1ccccc1.O=C(O)c1cc(OCc2ccccc2C(F)(F)F)ccc1NC(=O)C1CC1
InChIInChI=1S/C19H18F3N3O.C19H16F3NO4.C19H22N4O.C18H16F3NO4.C18H20N4O.C18H19N3O/c1-3-26-18-16(11-14-7-5-4-6-8-14)13(2)25(24-18)17-10-9-15(12-23-17)19(20,21)22;20-19(21,22)15-4-2-1-3-12(15)10-27-13-7-8-16(14(9-13)18(25)26)23-17(24)11-5-6-11;1-4-15-12-20-19(21-13-15)23-14(3)17(18(22-23)24-5-2)11-16-9-7-6-8-10-16;1-3-16(23)22-15-5-4-12(9-14(15)17(24)25)26-13-7-10(2)6-11(8-13)18(19,20)21;1-4-23-17-16(10-15-8-6-5-7-9-15)14(3)22(21-17)18-19-11-13(2)12-20-18;1-3-22-18-16(13-15-9-5-4-6-10-15)14(2)21(20-18)17-11-7-8-12-19-17/h4-10,12H,3,11H2,1-2H3;1-4,7-9,11H,5-6,10H2,(H,23,24)(H,25,26);6-10,12-13H,4-5,11H2,1-3H3;4-9H,3H2,1-2H3,(H,22,23)(H,24,25);5-9,11-12H,4,10H2,1-3H3;4-12H,3,13H2,1-2H3
InChIKeyRHUBHPXSNWRTGY-UHFFFAOYSA-N
XLogP24.12
TPSA336.80 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.19
LogP ≤ 524.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid with MolForge

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Related Compounds

N-(2-amino-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-[hydroxy(methyl)carbamoyl]phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 3,6-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;ethyl 3,4,6-trifluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethoxy)benzoic acid;methyl 6-cyclopropyl-5-fluoro-3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-2-carboxylate
CID 157102397
5-(3-tert-butyl-5-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-ethylmorpholin-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-ethylphenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;methyl 3-fluoro-5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]-3-pyridinyl]benzoate;6-[(3R)-3-methylpyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157241165
2-[[4-(Cyclohexen-1-yl)-1-methylpyrazol-5-yl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;2-[(4-cyclohexyl-1-methylpyrazol-5-yl)amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;1-(4-cyclohexyl-1-methylpyrazol-5-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
CID 157449159
4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(1-methoxycyclopropyl)-2-methylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoic acid
CID 157456137
3-(3-hydroxyphenyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(2-morpholin-4-ylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-phenylmethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoic acid;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide
CID 157860152
acetic acid;2-fluoro-N-[2-(2-hydrazinyl-2-oxoethyl)-4-phenylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-N-[2-[[4-[[4-(hydroxymethyl)-2-methoxyphenyl]methyl]-1,2,4-triazol-3-yl]methyl]-4-phenylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;hydrazine;N'-[[4-(hydroxymethyl)-2-methoxyphenyl]methyl]-N,N-dimethylmethanimidamide;methyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylpyrimidin-2-yl]acetate;hydrate
CID 158008682
3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
CID 158167807
6-[[2-(furan-2-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridazin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 158737235
2-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(2-pyridin-2-ylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-(2-pyridin-4-ylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;2-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzamide;2-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoic acid;4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoic acid
CID 159234488
3-(cyclohexen-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-[4-(dimethylcarbamoyl)phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;methyl 3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoate;3-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-3-pyrimidin-5-ylbenzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(2-pyrrolidin-1-ylethoxy)benzamide;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide
CID 159277482
4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-(1-isocyanocyclopropyl)-2-methylbenzamide;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoic acid
CID 160078311
1-acetyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]piperidine-4-carboxamide;6-phenoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-phenoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]oxolane-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-pyrimidin-5-ylbenzamide
CID 160271899

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid (CID 163929888) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid is CCC(=O)Nc1ccc(Oc2cc(C)cc(C(F)(F)F)c2)cc1C(=O)O.CCOc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1Cc1ccccc1.CCOc1nn(-c2ccccn2)c(C)c1Cc1ccccc1.CCOc1nn(-c2ncc(C)cn2)c(C)c1Cc1ccccc1.CCOc1nn(-c2ncc(CC)cn2)c(C)c1Cc1ccccc1.O=C(O)c1cc(OCc2ccccc2C(F)(F)F)ccc1NC(=O)C1CC1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid?
The InChIKey is RHUBHPXSNWRTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O.C19H16F3NO4.C19H22N4O.C18H16F3NO4.C18H20N4O.C18H19N3O/c1-3-26-18-16(11-14-7-5-4-6-8-14)13(2)25(24-18)17-10-9-15(12-23-17)19(20,21)22;20-19(21,22)15-4-2-1-3-12(15)10-27-13-7-8-16(14(9-13)18(25)26)23-17(24)11-5-6-11;1-4-15-12-20-19(21-13-15)23-14(3)17(18(22-23)24-5-2)11-16-9-7-6-8-10-16;1-3-16(23)22-15-5-4-12(9-14(15)17(24)25)26-13-7-10(2)6-11(8-13)18(19,20)21;1-4-23-17-16(10-15-8-6-5-7-9-15)14(3)22(21-17)18-19-11-13(2)12-20-18;1-3-22-18-16(13-15-9-5-4-6-10-15)14(2)21(20-18)17-11-7-8-12-19-17/h4-10,12H,3,11H2,1-2H3;1-4,7-9,11H,5-6,10H2,(H,23,24)(H,25,26);6-10,12-13H,4-5,11H2,1-3H3;4-9H,3H2,1-2H3,(H,22,23)(H,24,25);5-9,11-12H,4,10H2,1-3H3;4-12H,3,13H2,1-2H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid has a molecular weight of 2032.19 g/mol, XLogP of 24.12, 32 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyrimidine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine;2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine;2-(cyclopropanecarbonylamino)-5-[[2-(trifluoromethyl)phenyl]methoxy]benzoic acid;5-[3-methyl-5-(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid is sourced from PubChem (CID 163929888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).