N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C103H123Cl3F16N22O5 — CID 158493278

IUPACN-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCCN(CC)CCN(Cc1ccccc1Cl)C(=O)c1cc(C(F)(F)F)[nH]n1.Cc1ccc(CN(CCN2CCCCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c(Cl)c1.Cc1cccc(CN(CCN2CCCCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c1Cl.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1cccc2c1C(F)=CC2.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCCCC1)Cc1cccc2[nH]cnc12
InChIInChI=1S/2C21H26ClF3N4O.C21H22F4N4O.C21H25F3N6O.C19H24ClF3N4O/c1-15-7-6-8-16(19(15)22)14-29(12-11-28-9-4-2-3-5-10-28)20(30)17-13-18(27-26-17)21(23,24)25;1-15-6-7-16(17(22)12-15)14-29(11-10-28-8-4-2-3-5-9-28)20(30)18-13-19(27-26-18)21(23,24)25;22-16-7-6-14-4-3-5-15(19(14)16)13-29(11-10-28-8-1-2-9-28)20(30)17-12-18(27-26-17)21(23,24)25;22-21(23,24)18-12-17(27-28-18)20(31)30(11-10-29-8-3-1-2-4-9-29)13-15-6-5-7-16-19(15)26-14-25-16;1-3-9-26(4-2)10-11-27(13-14-7-5-6-8-15(14)20)18(28)16-12-17(25-24-16)19(21,22)23/h6-8,13H,2-5,9-12,14H2,1H3,(H,26,27);6-7,12-13H,2-5,8-11,14H2,1H3,(H,26,27);3-5,7,12H,1-2,6,8-11,13H2,(H,26,27);5-7,12,14H,1-4,8-11,13H2,(H,25,26)(H,27,28);5-8,12H,3-4,9-11,13H2,1-2H3,(H,24,25)
InChIKeyHIYSEQXZBCMIAG-UHFFFAOYSA-N
MW2159.59 g/mol
LogP22.13
Rot. Bonds33

About N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 158493278) has the molecular formula C103H123Cl3F16N22O5 and a molecular weight of 2159.59 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID158493278
Molecular FormulaC103H123Cl3F16N22O5
Molecular Weight2159.59 g/mol
Exact Mass2156.89
IUPAC NameN-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCCN(CC)CCN(Cc1ccccc1Cl)C(=O)c1cc(C(F)(F)F)[nH]n1.Cc1ccc(CN(CCN2CCCCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c(Cl)c1.Cc1cccc(CN(CCN2CCCCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c1Cl.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1cccc2c1C(F)=CC2.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCCCC1)Cc1cccc2[nH]cnc12
InChIInChI=1S/2C21H26ClF3N4O.C21H22F4N4O.C21H25F3N6O.C19H24ClF3N4O/c1-15-7-6-8-16(19(15)22)14-29(12-11-28-9-4-2-3-5-10-28)20(30)17-13-18(27-26-17)21(23,24)25;1-15-6-7-16(17(22)12-15)14-29(11-10-28-8-4-2-3-5-9-28)20(30)18-13-19(27-26-18)21(23,24)25;22-16-7-6-14-4-3-5-15(19(14)16)13-29(11-10-28-8-1-2-9-28)20(30)17-12-18(27-26-17)21(23,24)25;22-21(23,24)18-12-17(27-28-18)20(31)30(11-10-29-8-3-1-2-4-9-29)13-15-6-5-7-16-19(15)26-14-25-16;1-3-9-26(4-2)10-11-27(13-14-7-5-6-8-15(14)20)18(28)16-12-17(25-24-16)19(21,22)23/h6-8,13H,2-5,9-12,14H2,1H3,(H,26,27);6-7,12-13H,2-5,8-11,14H2,1H3,(H,26,27);3-5,7,12H,1-2,6,8-11,13H2,(H,26,27);5-7,12,14H,1-4,8-11,13H2,(H,25,26)(H,27,28);5-8,12H,3-4,9-11,13H2,1-2H3,(H,24,25)
InChIKeyHIYSEQXZBCMIAG-UHFFFAOYSA-N
XLogP22.13
TPSA289.83 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002159.59
LogP ≤ 522.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea
CID 159886289
N-(1H-benzimidazol-4-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chloro-4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(diethylamino)ethyl]-N-(1H-inden-4-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide;N-(1H-inden-4-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 160831120
6-tert-butyl-5-chloro-1-methyl-2,3-dihydroindole;3-tert-butyl-2-chloro-N-methyl-N-propan-2-ylaniline;1-(4-tert-butyl-3,3-difluoro-2H-indol-1-yl)ethanone;4-tert-butyl-1,3-dihydrobenzimidazol-2-one;7-tert-butyl-1,3-dihydroindol-2-one;7-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine
CID 163647076
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-difluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trifluorobenzamide;2,6-difluoro-N-[5-[6-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 157570464
7-chloro-N-(4-fluoro-4-methylcyclohexyl)-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]-1H-indazole-3-carboxamide;6-fluoro-N-(4-fluoro-4-methylcyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;N-(4-fluoro-4-methylcyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 157664625
1-[2-[(2S,4R)-2-[[3-(2-amino-4-chloro-1H-benzimidazol-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[[3-(4-chloro-2-fluoro-1H-benzimidazol-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[[3-(4-chloro-1-methylbenzimidazol-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 162090588
3-amino-1-tert-butylpyridin-2-one;1-tert-butylbenzimidazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-3,6-dimethyl-2H-indazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;1-tert-butylimidazole;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;bis(4-tert-butyl-5-methyl-1H-benzimidazole);4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indazole-3-carboxamide;3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-4-methyl-1H-indole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;2-(4-tert-butylpyrazol-1-yl)ethanol;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine
CID 165100819

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 158493278) is N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CCCN(CC)CCN(Cc1ccccc1Cl)C(=O)c1cc(C(F)(F)F)[nH]n1.Cc1ccc(CN(CCN2CCCCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c(Cl)c1.Cc1cccc(CN(CCN2CCCCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c1Cl.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1cccc2c1C(F)=CC2.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCCCC1)Cc1cccc2[nH]cnc12.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HIYSEQXZBCMIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H26ClF3N4O.C21H22F4N4O.C21H25F3N6O.C19H24ClF3N4O/c1-15-7-6-8-16(19(15)22)14-29(12-11-28-9-4-2-3-5-10-28)20(30)17-13-18(27-26-17)21(23,24)25;1-15-6-7-16(17(22)12-15)14-29(11-10-28-8-4-2-3-5-9-28)20(30)18-13-19(27-26-18)21(23,24)25;22-16-7-6-14-4-3-5-15(19(14)16)13-29(11-10-28-8-1-2-9-28)20(30)17-12-18(27-26-17)21(23,24)25;22-21(23,24)18-12-17(27-28-18)20(31)30(11-10-29-8-3-1-2-4-9-29)13-15-6-5-7-16-19(15)26-14-25-16;1-3-9-26(4-2)10-11-27(13-14-7-5-6-8-15(14)20)18(28)16-12-17(25-24-16)19(21,22)23/h6-8,13H,2-5,9-12,14H2,1H3,(H,26,27);6-7,12-13H,2-5,8-11,14H2,1H3,(H,26,27);3-5,7,12H,1-2,6,8-11,13H2,(H,26,27);5-7,12,14H,1-4,8-11,13H2,(H,25,26)(H,27,28);5-8,12H,3-4,9-11,13H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 2159.59 g/mol, XLogP of 22.13, 33 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-N-(1H-benzimidazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(3-fluoro-1H-inden-4-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 158493278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).