4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide

C156H133ClF25N29O18S4 — CID 163538525

IUPAC4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide
SMILESCC1=C(c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)C=CC1.CC1=NCC(C)=C1c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccc(C(C)(F)F)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccccc1C(=O)NCc1cc(-c2cccs2)n[nH]1.COc1ccccc1C(=O)NCc1cc(C2=CCC=C2C)n[nH]1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccc(Cl)cc1C(F)(F)F.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccc(O)cc1C(F)(F)F.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OC(F)F.O=C(NCc1cc(C2=CCN=C2C(F)(F)F)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C21H18F5N3O3.C18H17F3N4O2.C18H16F3N3O2.C18H19N3O2.C17H12F6N4O2.C16H11ClF3N3OS.C16H12F3N3O2S.C16H13F2N3O2S.C16H15N3O2S/c1-20(22,23)12-7-8-17(31-2)15(9-12)16-10-13(28-29-16)11-27-19(30)14-5-3-4-6-18(14)32-21(24,25)26;1-10-8-22-11(2)16(10)14-7-12(24-25-14)9-23-17(26)13-5-3-4-6-15(13)27-18(19,20)21;1-11-5-4-7-13(11)15-9-12(23-24-15)10-22-17(25)14-6-2-3-8-16(14)26-18(19,20)21;1-12-6-5-8-14(12)16-10-13(20-21-16)11-19-18(22)15-7-3-4-9-17(15)23-2;18-16(19,20)14-10(5-6-24-14)12-7-9(26-27-12)8-25-15(28)11-3-1-2-4-13(11)29-17(21,22)23;17-9-3-4-11(12(6-9)16(18,19)20)15(24)21-8-10-7-13(23-22-10)14-2-1-5-25-14;17-16(18,19)12-7-10(23)3-4-11(12)15(24)20-8-9-6-13(22-21-9)14-2-1-5-25-14;17-16(18)23-13-5-2-1-4-11(13)15(22)19-9-10-8-12(21-20-10)14-6-3-7-24-14;1-21-14-6-3-2-5-12(14)16(20)17-10-11-9-13(19-18-11)15-7-4-8-22-15/h3-10H,11H2,1-2H3,(H,27,30)(H,28,29);3-7H,8-9H2,1-2H3,(H,23,26)(H,24,25);2-4,6-9H,5,10H2,1H3,(H,22,25)(H,23,24);3-4,6-10H,5,11H2,1-2H3,(H,19,22)(H,20,21);1-5,7H,6,8H2,(H,25,28)(H,26,27);1-7H,8H2,(H,21,24)(H,22,23);1-7,23H,8H2,(H,20,24)(H,21,22);1-8,16H,9H2,(H,19,22)(H,20,21);2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyDZBVCCCXBFRRTO-UHFFFAOYSA-N
MW3340.64 g/mol
LogP34.48
Rot. Bonds46

About 4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide

4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide (PubChem CID 163538525) has the molecular formula C156H133ClF25N29O18S4 and a molecular weight of 3340.64 g/mol. Its IUPAC name is 4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide
PubChem CID163538525
Molecular FormulaC156H133ClF25N29O18S4
Molecular Weight3340.64 g/mol
Exact Mass3337.86
IUPAC Name4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide
SMILESCC1=C(c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)C=CC1.CC1=NCC(C)=C1c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccc(C(C)(F)F)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccccc1C(=O)NCc1cc(-c2cccs2)n[nH]1.COc1ccccc1C(=O)NCc1cc(C2=CCC=C2C)n[nH]1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccc(Cl)cc1C(F)(F)F.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccc(O)cc1C(F)(F)F.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OC(F)F.O=C(NCc1cc(C2=CCN=C2C(F)(F)F)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C21H18F5N3O3.C18H17F3N4O2.C18H16F3N3O2.C18H19N3O2.C17H12F6N4O2.C16H11ClF3N3OS.C16H12F3N3O2S.C16H13F2N3O2S.C16H15N3O2S/c1-20(22,23)12-7-8-17(31-2)15(9-12)16-10-13(28-29-16)11-27-19(30)14-5-3-4-6-18(14)32-21(24,25)26;1-10-8-22-11(2)16(10)14-7-12(24-25-14)9-23-17(26)13-5-3-4-6-15(13)27-18(19,20)21;1-11-5-4-7-13(11)15-9-12(23-24-15)10-22-17(25)14-6-2-3-8-16(14)26-18(19,20)21;1-12-6-5-8-14(12)16-10-13(20-21-16)11-19-18(22)15-7-3-4-9-17(15)23-2;18-16(19,20)14-10(5-6-24-14)12-7-9(26-27-12)8-25-15(28)11-3-1-2-4-13(11)29-17(21,22)23;17-9-3-4-11(12(6-9)16(18,19)20)15(24)21-8-10-7-13(23-22-10)14-2-1-5-25-14;17-16(18,19)12-7-10(23)3-4-11(12)15(24)20-8-9-6-13(22-21-9)14-2-1-5-25-14;17-16(18)23-13-5-2-1-4-11(13)15(22)19-9-10-8-12(21-20-10)14-6-3-7-24-14;1-21-14-6-3-2-5-12(14)16(20)17-10-11-9-13(19-18-11)15-7-4-8-22-15/h3-10H,11H2,1-2H3,(H,27,30)(H,28,29);3-7H,8-9H2,1-2H3,(H,23,26)(H,24,25);2-4,6-9H,5,10H2,1H3,(H,22,25)(H,23,24);3-4,6-10H,5,11H2,1-2H3,(H,19,22)(H,20,21);1-5,7H,6,8H2,(H,25,28)(H,26,27);1-7H,8H2,(H,21,24)(H,22,23);1-7,23H,8H2,(H,20,24)(H,21,22);1-8,16H,9H2,(H,19,22)(H,20,21);2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyDZBVCCCXBFRRTO-UHFFFAOYSA-N
XLogP34.48
TPSA638.81 Ų
H-Bond Donors19
H-Bond Acceptors33
Rotatable Bonds46
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003340.64
LogP ≤ 534.48
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1033

Analyze 4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide with MolForge

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Related Compounds

2-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-6-(trifluoromethyl)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2-(difluoromethyl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2,2-difluoro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-1,3-benzodioxole-4-carboxamide;2-ethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethoxy)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
CID 163463724
N-[[3-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(difluoromethoxy)benzamide;N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(3-fluoro-2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(3-fluoro-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide)
CID 163963540

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide (CID 163538525) is 4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide is CC1=C(c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)C=CC1.CC1=NCC(C)=C1c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccc(C(C)(F)F)cc1-c1cc(CNC(=O)c2ccccc2OC(F)(F)F)[nH]n1.COc1ccccc1C(=O)NCc1cc(-c2cccs2)n[nH]1.COc1ccccc1C(=O)NCc1cc(C2=CCC=C2C)n[nH]1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccc(Cl)cc1C(F)(F)F.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccc(O)cc1C(F)(F)F.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OC(F)F.O=C(NCc1cc(C2=CCN=C2C(F)(F)F)n[nH]1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide?
The InChIKey is DZBVCCCXBFRRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N3O3.C18H17F3N4O2.C18H16F3N3O2.C18H19N3O2.C17H12F6N4O2.C16H11ClF3N3OS.C16H12F3N3O2S.C16H13F2N3O2S.C16H15N3O2S/c1-20(22,23)12-7-8-17(31-2)15(9-12)16-10-13(28-29-16)11-27-19(30)14-5-3-4-6-18(14)32-21(24,25)26;1-10-8-22-11(2)16(10)14-7-12(24-25-14)9-23-17(26)13-5-3-4-6-15(13)27-18(19,20)21;1-11-5-4-7-13(11)15-9-12(23-24-15)10-22-17(25)14-6-2-3-8-16(14)26-18(19,20)21;1-12-6-5-8-14(12)16-10-13(20-21-16)11-19-18(22)15-7-3-4-9-17(15)23-2;18-16(19,20)14-10(5-6-24-14)12-7-9(26-27-12)8-25-15(28)11-3-1-2-4-13(11)29-17(21,22)23;17-9-3-4-11(12(6-9)16(18,19)20)15(24)21-8-10-7-13(23-22-10)14-2-1-5-25-14;17-16(18,19)12-7-10(23)3-4-11(12)15(24)20-8-9-6-13(22-21-9)14-2-1-5-25-14;17-16(18)23-13-5-2-1-4-11(13)15(22)19-9-10-8-12(21-20-10)14-6-3-7-24-14;1-21-14-6-3-2-5-12(14)16(20)17-10-11-9-13(19-18-11)15-7-4-8-22-15/h3-10H,11H2,1-2H3,(H,27,30)(H,28,29);3-7H,8-9H2,1-2H3,(H,23,26)(H,24,25);2-4,6-9H,5,10H2,1H3,(H,22,25)(H,23,24);3-4,6-10H,5,11H2,1-2H3,(H,19,22)(H,20,21);1-5,7H,6,8H2,(H,25,28)(H,26,27);1-7H,8H2,(H,21,24)(H,22,23);1-7,23H,8H2,(H,20,24)(H,21,22);1-8,16H,9H2,(H,19,22)(H,20,21);2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide?
4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide has a molecular weight of 3340.64 g/mol, XLogP of 34.48, 46 rotatable bonds, 19 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;N-[[3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;4-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide;2-methoxy-N-[[3-(5-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]benzamide;2-methoxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;N-[[3-(2-methylcyclopenta-1,4-dien-1-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 163538525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).