N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

C142H102Cl2F30N30O11S2 — CID 161280258

IUPACN-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1.CS(=O)c1ncccc1C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1.Nc1cc(-n2nc(C(F)(F)F)cc2C(F)(F)F)ccc1NC(=O)c1ccc(Cl)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCc1ccccc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccncc2)cc1)c1cccnc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C28H21F3N6O.C22H16F3N5O2S.C21H14F3N5O.C19H13F6N3O3S.C18H11ClF6N4O.C18H13ClF3N3O.C16H14F6N4O2/c29-28(30,31)25-16-24(20-8-4-14-32-18-20)36-37(25)22-12-10-21(11-13-22)35-27(38)23-9-5-15-33-26(23)34-17-19-6-2-1-3-7-19;1-33(32)21-17(5-3-11-27-21)20(31)28-15-6-8-16(9-7-15)30-19(22(23,24)25)12-18(29-30)14-4-2-10-26-13-14;22-21(23,24)19-12-18(14-7-10-25-11-8-14)29(28-19)17-5-3-16(4-6-17)27-20(30)15-2-1-9-26-13-15;1-32(30,31)14-4-2-3-11(9-14)17(29)26-12-5-7-13(8-6-12)28-16(19(23,24)25)10-15(27-28)18(20,21)22;19-10-3-1-9(2-4-10)16(30)27-13-6-5-11(7-12(13)26)29-15(18(23,24)25)8-14(28-29)17(20,21)22;1-11-10-16(18(20,21)22)25(24-11)15-8-6-14(7-9-15)23-17(26)12-2-4-13(19)5-3-12;17-15(18,19)12-9-13(16(20,21)22)26(24-12)11-3-1-10(2-4-11)23-14(27)25-5-7-28-8-6-25/h1-16,18H,17H2,(H,33,34)(H,35,38);2-13H,1H3,(H,28,31);1-13H,(H,27,30);2-10H,1H3,(H,26,29);1-8H,26H2,(H,27,30);2-10H,1H3,(H,23,26);1-4,9H,5-8H2,(H,23,27)
InChIKeyVEZFQFAMOANJNY-UHFFFAOYSA-N
MW3109.56 g/mol
LogP33.99
Rot. Bonds28

About N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 161280258) has the molecular formula C142H102Cl2F30N30O11S2 and a molecular weight of 3109.56 g/mol. Its IUPAC name is N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID161280258
Molecular FormulaC142H102Cl2F30N30O11S2
Molecular Weight3109.56 g/mol
Exact Mass3106.67
IUPAC NameN-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1.CS(=O)c1ncccc1C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1.Nc1cc(-n2nc(C(F)(F)F)cc2C(F)(F)F)ccc1NC(=O)c1ccc(Cl)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCc1ccccc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccncc2)cc1)c1cccnc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C28H21F3N6O.C22H16F3N5O2S.C21H14F3N5O.C19H13F6N3O3S.C18H11ClF6N4O.C18H13ClF3N3O.C16H14F6N4O2/c29-28(30,31)25-16-24(20-8-4-14-32-18-20)36-37(25)22-12-10-21(11-13-22)35-27(38)23-9-5-15-33-26(23)34-17-19-6-2-1-3-7-19;1-33(32)21-17(5-3-11-27-21)20(31)28-15-6-8-16(9-7-15)30-19(22(23,24)25)12-18(29-30)14-4-2-10-26-13-14;22-21(23,24)19-12-18(14-7-10-25-11-8-14)29(28-19)17-5-3-16(4-6-17)27-20(30)15-2-1-9-26-13-15;1-32(30,31)14-4-2-3-11(9-14)17(29)26-12-5-7-13(8-6-12)28-16(19(23,24)25)10-15(27-28)18(20,21)22;19-10-3-1-9(2-4-10)16(30)27-13-6-5-11(7-12(13)26)29-15(18(23,24)25)8-14(28-29)17(20,21)22;1-11-10-16(18(20,21)22)25(24-11)15-8-6-14(7-9-15)23-17(26)12-2-4-13(19)5-3-12;17-15(18,19)12-9-13(16(20,21)22)26(24-12)11-3-1-10(2-4-11)23-14(27)25-5-7-28-8-6-25/h1-16,18H,17H2,(H,33,34)(H,35,38);2-13H,1H3,(H,28,31);1-13H,(H,27,30);2-10H,1H3,(H,26,29);1-8H,26H2,(H,27,30);2-10H,1H3,(H,23,26);1-4,9H,5-8H2,(H,23,27)
InChIKeyVEZFQFAMOANJNY-UHFFFAOYSA-N
XLogP33.99
TPSA507.51 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003109.56
LogP ≤ 533.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 158343774
2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-lambda6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 158812716
N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-lambda6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 159182536
2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-lambda6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 159603081
N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-(methyl-methylidene-oxo-lambda6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 159994246
N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 160833440
2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 161802989
2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 161822840
1-(4-chlorophenyl)-N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-chlorophenyl)-N-[[6-[2-methoxyethyl(methylsulfonyl)amino]-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-chlorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-chlorophenyl)-N-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 158462332

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (CID 161280258) is N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1.CS(=O)c1ncccc1C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1.Nc1cc(-n2nc(C(F)(F)F)cc2C(F)(F)F)ccc1NC(=O)c1ccc(Cl)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCc1ccccc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccncc2)cc1)c1cccnc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is VEZFQFAMOANJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N6O.C22H16F3N5O2S.C21H14F3N5O.C19H13F6N3O3S.C18H11ClF6N4O.C18H13ClF3N3O.C16H14F6N4O2/c29-28(30,31)25-16-24(20-8-4-14-32-18-20)36-37(25)22-12-10-21(11-13-22)35-27(38)23-9-5-15-33-26(23)34-17-19-6-2-1-3-7-19;1-33(32)21-17(5-3-11-27-21)20(31)28-15-6-8-16(9-7-15)30-19(22(23,24)25)12-18(29-30)14-4-2-10-26-13-14;22-21(23,24)19-12-18(14-7-10-25-11-8-14)29(28-19)17-5-3-16(4-6-17)27-20(30)15-2-1-9-26-13-15;1-32(30,31)14-4-2-3-11(9-14)17(29)26-12-5-7-13(8-6-12)28-16(19(23,24)25)10-15(27-28)18(20,21)22;19-10-3-1-9(2-4-10)16(30)27-13-6-5-11(7-12(13)26)29-15(18(23,24)25)8-14(28-29)17(20,21)22;1-11-10-16(18(20,21)22)25(24-11)15-8-6-14(7-9-15)23-17(26)12-2-4-13(19)5-3-12;17-15(18,19)12-9-13(16(20,21)22)26(24-12)11-3-1-10(2-4-11)23-14(27)25-5-7-28-8-6-25/h1-16,18H,17H2,(H,33,34)(H,35,38);2-13H,1H3,(H,28,31);1-13H,(H,27,30);2-10H,1H3,(H,26,29);1-8H,26H2,(H,27,30);2-10H,1H3,(H,23,26);1-4,9H,5-8H2,(H,23,27).
What are the key properties of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 3109.56 g/mol, XLogP of 33.99, 28 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;4-chloro-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 161280258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).