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

C98H114Cl2F12N22O5 — CID 160831120

IUPACN-(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
SMILESCCN(CC)CCN(Cc1cccc2c1C=CC2)C(=O)c1cc(C)[nH]n1.Cc1ccc(CN(CCN2CCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c(Cl)c1.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1cccc2[nH]cnc12.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1cccc2c1C=CC2.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1ccccc1Cl
InChIInChI=1S/C21H23F3N4O.C21H28N4O.C19H22ClF3N4O.C19H21F3N6O.C18H20ClF3N4O/c22-21(23,24)19-13-18(25-26-19)20(29)28(12-11-27-9-1-2-10-27)14-16-7-3-5-15-6-4-8-17(15)16;1-4-24(5-2)12-13-25(21(26)20-14-16(3)22-23-20)15-18-10-6-8-17-9-7-11-19(17)18;1-13-4-5-14(15(20)10-13)12-27(9-8-26-6-2-3-7-26)18(28)16-11-17(25-24-16)19(21,22)23;20-19(21,22)16-10-15(25-26-16)18(29)28(9-8-27-6-1-2-7-27)11-13-4-3-5-14-17(13)24-12-23-14;19-14-6-2-1-5-13(14)12-26(10-9-25-7-3-4-8-25)17(27)15-11-16(24-23-15)18(20,21)22/h3-5,7-8,13H,1-2,6,9-12,14H2,(H,25,26);6-8,10-11,14H,4-5,9,12-13,15H2,1-3H3,(H,22,23);4-5,10-11H,2-3,6-9,12H2,1H3,(H,24,25);3-5,10,12H,1-2,6-9,11H2,(H,23,24)(H,25,26);1-2,5-6,11H,3-4,7-10,12H2,(H,23,24)
InChIKeySGUUONYJWSFCBP-UHFFFAOYSA-N
MW1979.02 g/mol
LogP18.00
Rot. Bonds32

About 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

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 (PubChem CID 160831120) has the molecular formula C98H114Cl2F12N22O5 and a molecular weight of 1979.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID160831120
Molecular FormulaC98H114Cl2F12N22O5
Molecular Weight1979.02 g/mol
Exact Mass1976.85
IUPAC NameN-(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
SMILESCCN(CC)CCN(Cc1cccc2c1C=CC2)C(=O)c1cc(C)[nH]n1.Cc1ccc(CN(CCN2CCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c(Cl)c1.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1cccc2[nH]cnc12.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1cccc2c1C=CC2.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1ccccc1Cl
InChIInChI=1S/C21H23F3N4O.C21H28N4O.C19H22ClF3N4O.C19H21F3N6O.C18H20ClF3N4O/c22-21(23,24)19-13-18(25-26-19)20(29)28(12-11-27-9-1-2-10-27)14-16-7-3-5-15-6-4-8-17(15)16;1-4-24(5-2)12-13-25(21(26)20-14-16(3)22-23-20)15-18-10-6-8-17-9-7-11-19(17)18;1-13-4-5-14(15(20)10-13)12-27(9-8-26-6-2-3-7-26)18(28)16-11-17(25-24-16)19(21,22)23;20-19(21,22)16-10-15(25-26-16)18(29)28(9-8-27-6-1-2-7-27)11-13-4-3-5-14-17(13)24-12-23-14;19-14-6-2-1-5-13(14)12-26(10-9-25-7-3-4-8-25)17(27)15-11-16(24-23-15)18(20,21)22/h3-5,7-8,13H,1-2,6,9-12,14H2,(H,25,26);6-8,10-11,14H,4-5,9,12-13,15H2,1-3H3,(H,22,23);4-5,10-11H,2-3,6-9,12H2,1H3,(H,24,25);3-5,10,12H,1-2,6-9,11H2,(H,23,24)(H,25,26);1-2,5-6,11H,3-4,7-10,12H2,(H,23,24)
InChIKeySGUUONYJWSFCBP-UHFFFAOYSA-N
XLogP18.00
TPSA289.83 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001979.02
LogP ≤ 518.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione
CID 158094494
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
(3Z)-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[[2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]amino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-6-[3-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]anilino]-1H-indol-2-one
CID 159339347
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
3-amino-N-[1-(2H-benzimidazol-5-yl)ethyl]-1H-indazole-5-carboxamide;3-amino-N-benzyl-1H-indazole-5-carboxamide;1-(3-amino-1H-indazol-5-yl)-5-(3-methylphenyl)pentan-3-one;(E)-1-(3-amino-1H-indazol-5-yl)-5-(3-methylphenyl)pent-1-en-3-one;1-(3-chlorophenyl)-3-[(3-methyl-2H-indazol-5-yl)methylideneamino]propan-2-one;5-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-1H-indazol-3-amine
CID 160120393
3-[2-(2-chlorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide;N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzamide
CID 160448719
N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
CID 160901699
3-[[4-[[3-(3,5-dichlorophenyl)-5-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid;3-[[4-[[3-(3,5-dichlorophenyl)-5-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid;3-[[4-[[3-(3,5-dichlorophenyl)-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
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(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one;(5-chloro-1H-indol-2-yl)-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenyl)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;(5-chloro-1H-indol-2-yl)-(1,3,4,5-tetrahydroindeno[1,2-c]pyridin-2-yl)methanone;[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
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5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
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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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)CCN(Cc1cccc2c1C=CC2)C(=O)c1cc(C)[nH]n1.Cc1ccc(CN(CCN2CCCC2)C(=O)c2cc(C(F)(F)F)[nH]n2)c(Cl)c1.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1cccc2[nH]cnc12.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1cccc2c1C=CC2.O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCCC1)Cc1ccccc1Cl.
What is the InChIKey of 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?
The InChIKey is SGUUONYJWSFCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O.C21H28N4O.C19H22ClF3N4O.C19H21F3N6O.C18H20ClF3N4O/c22-21(23,24)19-13-18(25-26-19)20(29)28(12-11-27-9-1-2-10-27)14-16-7-3-5-15-6-4-8-17(15)16;1-4-24(5-2)12-13-25(21(26)20-14-16(3)22-23-20)15-18-10-6-8-17-9-7-11-19(17)18;1-13-4-5-14(15(20)10-13)12-27(9-8-26-6-2-3-7-26)18(28)16-11-17(25-24-16)19(21,22)23;20-19(21,22)16-10-15(25-26-16)18(29)28(9-8-27-6-1-2-7-27)11-13-4-3-5-14-17(13)24-12-23-14;19-14-6-2-1-5-13(14)12-26(10-9-25-7-3-4-8-25)17(27)15-11-16(24-23-15)18(20,21)22/h3-5,7-8,13H,1-2,6,9-12,14H2,(H,25,26);6-8,10-11,14H,4-5,9,12-13,15H2,1-3H3,(H,22,23);4-5,10-11H,2-3,6-9,12H2,1H3,(H,24,25);3-5,10,12H,1-2,6-9,11H2,(H,23,24)(H,25,26);1-2,5-6,11H,3-4,7-10,12H2,(H,23,24).
What are the key properties of 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?
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 has a molecular weight of 1979.02 g/mol, XLogP of 18.00, 32 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160831120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).