N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine

C87H69F21N24O5S4 — CID 158597886

IUPACN-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine
SMILESC.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2nnc(-c3cnccn3)s2)cn1.CCOC(=O)c1nnc(-c2cnccn2)s1.C[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2ccc(-c3cnccn3)s2)cn1.C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2ccc(-c3cnccn3)s2)cn1.Cc1ccc(C(C)n2cc(N)cn2)c(C(F)(F)F)c1
InChIInChI=1S/2C22H15F6N5OS.C20H13F6N7OS.C13H14F3N3.C9H8N4O2S.CH4/c2*1-12(15-3-2-13(21(23,24)25)8-16(15)22(26,27)28)33-11-14(9-31-33)32-20(34)19-5-4-18(35-19)17-10-29-6-7-30-17;1-10(13-3-2-11(19(21,22)23)6-14(13)20(24,25)26)33-9-12(7-29-33)30-16(34)18-32-31-17(35-18)15-8-27-4-5-28-15;1-8-3-4-11(12(5-8)13(14,15)16)9(2)19-7-10(17)6-18-19;1-2-15-9(14)8-13-12-7(16-8)6-5-10-3-4-11-6;/h2*2-12H,1H3,(H,32,34);2-10H,1H3,(H,30,34);3-7,9H,17H2,1-2H3;3-5H,2H2,1H3;1H4/t2*12-;;;;/m10..../s1
InChIKeyHVGLETBNNIEIKU-DOFCAIOBSA-N
MW2057.90 g/mol
LogP22.90
Rot. Bonds20

About N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine

N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine (PubChem CID 158597886) has the molecular formula C87H69F21N24O5S4 and a molecular weight of 2057.90 g/mol. Its IUPAC name is N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine
PubChem CID158597886
Molecular FormulaC87H69F21N24O5S4
Molecular Weight2057.90 g/mol
Exact Mass2056.44
IUPAC NameN-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine
SMILESC.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2nnc(-c3cnccn3)s2)cn1.CCOC(=O)c1nnc(-c2cnccn2)s1.C[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2ccc(-c3cnccn3)s2)cn1.C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2ccc(-c3cnccn3)s2)cn1.Cc1ccc(C(C)n2cc(N)cn2)c(C(F)(F)F)c1
InChIInChI=1S/2C22H15F6N5OS.C20H13F6N7OS.C13H14F3N3.C9H8N4O2S.CH4/c2*1-12(15-3-2-13(21(23,24)25)8-16(15)22(26,27)28)33-11-14(9-31-33)32-20(34)19-5-4-18(35-19)17-10-29-6-7-30-17;1-10(13-3-2-11(19(21,22)23)6-14(13)20(24,25)26)33-9-12(7-29-33)30-16(34)18-32-31-17(35-18)15-8-27-4-5-28-15;1-8-3-4-11(12(5-8)13(14,15)16)9(2)19-7-10(17)6-18-19;1-2-15-9(14)8-13-12-7(16-8)6-5-10-3-4-11-6;/h2*2-12H,1H3,(H,32,34);2-10H,1H3,(H,30,34);3-7,9H,17H2,1-2H3;3-5H,2H2,1H3;1H4/t2*12-;;;;/m10..../s1
InChIKeyHVGLETBNNIEIKU-DOFCAIOBSA-N
XLogP22.90
TPSA365.58 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002057.90
LogP ≤ 522.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine with MolForge

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Related Compounds

N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-[(5-fluoro-2-methylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-methyl-N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 157148389
2-[4-Amino-1-(4-fluorophenyl)pyrazol-3-yl]-1-[5-[(dimethylamino)methyl]-1,3-dihydroisoindol-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(oxan-4-yl)-1,3-dihydroisoindol-2-yl]ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[5-[(dimethylamino)methyl]-1,3-dihydroisoindol-2-yl]ethanone;2-(3-amino-6-thiophen-2-yl-2-pyridinyl)-1-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]ethanone
CID 157370391
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-diethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 157993978
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-piperidin-1-ylthiophene-2-carboxamide
CID 158189634
N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-(2-methoxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 158737684
N-[3-[(cyclopropylamino)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-morpholin-4-ylbutyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide
CID 159270736
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(5-aminopentyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-piperidin-1-ylthiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 159482670
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 159798628
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(5-aminopentyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dimethyl-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N-ethyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 160045983
N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxamide;ethyl 5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxylate;3-methyl-1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine
CID 160062289
N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxamide;ethyl 5-pyridin-2-yl-1,3,4-thiadiazole-2-carboxylate;3-methyl-1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine
CID 160079477
N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine
CID 160169010

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine?
The IUPAC name of N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine (CID 158597886) is N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine.
What is the SMILES notation for N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine?
The canonical SMILES for N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine is C.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2nnc(-c3cnccn3)s2)cn1.CCOC(=O)c1nnc(-c2cnccn2)s1.C[C@@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2ccc(-c3cnccn3)s2)cn1.C[C@H](c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2ccc(-c3cnccn3)s2)cn1.Cc1ccc(C(C)n2cc(N)cn2)c(C(F)(F)F)c1.
What is the InChIKey of N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine?
The InChIKey is HVGLETBNNIEIKU-DOFCAIOBSA-N. The full InChI is InChI=1S/2C22H15F6N5OS.C20H13F6N7OS.C13H14F3N3.C9H8N4O2S.CH4/c2*1-12(15-3-2-13(21(23,24)25)8-16(15)22(26,27)28)33-11-14(9-31-33)32-20(34)19-5-4-18(35-19)17-10-29-6-7-30-17;1-10(13-3-2-11(19(21,22)23)6-14(13)20(24,25)26)33-9-12(7-29-33)30-16(34)18-32-31-17(35-18)15-8-27-4-5-28-15;1-8-3-4-11(12(5-8)13(14,15)16)9(2)19-7-10(17)6-18-19;1-2-15-9(14)8-13-12-7(16-8)6-5-10-3-4-11-6;/h2*2-12H,1H3,(H,32,34);2-10H,1H3,(H,30,34);3-7,9H,17H2,1-2H3;3-5H,2H2,1H3;1H4/t2*12-;;;;/m10..../s1.
What are the key properties of N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine?
N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine has a molecular weight of 2057.90 g/mol, XLogP of 22.90, 20 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-ylthiophene-2-carboxamide;ethyl 5-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxylate;methane;1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine is sourced from PubChem (CID 158597886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).