N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide

C102H75Cl2F5N12O7S6 — CID 158294425

IUPACN-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(-c3cccc(O)c3)n[nH]2)cc1.N#Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1.O=C(Nc1cccnc1)c1ccc(-c2ccc(F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccc(F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccsc2)s1
InChIInChI=1S/C20H21N3O2.C18H11ClF3NOS.C18H11ClN2OS.2C16H11FN2OS.C14H10N2OS2/c1-20(2,3)14-7-9-15(10-8-14)21-19(25)18-12-17(22-23-18)13-5-4-6-16(24)11-13;19-13-5-7-14(8-6-13)23-17(24)16-10-9-15(25-16)11-1-3-12(4-2-11)18(20,21)22;19-14-5-7-15(8-6-14)21-18(22)17-10-9-16(23-17)13-3-1-12(11-20)2-4-13;17-12-3-1-11(2-4-12)14-5-6-15(21-14)16(20)19-13-7-9-18-10-8-13;17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(20)19-13-2-1-9-18-10-13;17-14(16-11-3-6-15-7-4-11)13-2-1-12(19-13)10-5-8-18-9-10/h4-12,24H,1-3H3,(H,21,25)(H,22,23);1-10H,(H,23,24);1-10H,(H,21,22);1-10H,(H,18,19,20);1-10H,(H,19,20);1-9H,(H,15,16,17)
InChIKeyGLSSKOBSHWMLNG-UHFFFAOYSA-N
MW1939.10 g/mol
LogP28.39
Rot. Bonds18

About N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide

N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide (PubChem CID 158294425) has the molecular formula C102H75Cl2F5N12O7S6 and a molecular weight of 1939.10 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide
PubChem CID158294425
Molecular FormulaC102H75Cl2F5N12O7S6
Molecular Weight1939.10 g/mol
Exact Mass1936.35
IUPAC NameN-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(-c3cccc(O)c3)n[nH]2)cc1.N#Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1.O=C(Nc1cccnc1)c1ccc(-c2ccc(F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccc(F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccsc2)s1
InChIInChI=1S/C20H21N3O2.C18H11ClF3NOS.C18H11ClN2OS.2C16H11FN2OS.C14H10N2OS2/c1-20(2,3)14-7-9-15(10-8-14)21-19(25)18-12-17(22-23-18)13-5-4-6-16(24)11-13;19-13-5-7-14(8-6-13)23-17(24)16-10-9-15(25-16)11-1-3-12(4-2-11)18(20,21)22;19-14-5-7-15(8-6-14)21-18(22)17-10-9-16(23-17)13-3-1-12(11-20)2-4-13;17-12-3-1-11(2-4-12)14-5-6-15(21-14)16(20)19-13-7-9-18-10-8-13;17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(20)19-13-2-1-9-18-10-13;17-14(16-11-3-6-15-7-4-11)13-2-1-12(19-13)10-5-8-18-9-10/h4-12,24H,1-3H3,(H,21,25)(H,22,23);1-10H,(H,23,24);1-10H,(H,21,22);1-10H,(H,18,19,20);1-10H,(H,19,20);1-9H,(H,15,16,17)
InChIKeyGLSSKOBSHWMLNG-UHFFFAOYSA-N
XLogP28.39
TPSA285.97 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001939.10
LogP ≤ 528.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide
CID 161298223
N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 158545674
N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
CID 11493386
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
5-(3,5-dichlorophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 99292344
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 56503584
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218181
N-(4-cyanophenyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89459269
N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 71828964
N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53087479

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide (CID 158294425) is N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cc(-c3cccc(O)c3)n[nH]2)cc1.N#Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1.O=C(Nc1cccnc1)c1ccc(-c2ccc(F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccc(F)cc2)s1.O=C(Nc1ccncc1)c1ccc(-c2ccsc2)s1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide?
The InChIKey is GLSSKOBSHWMLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.C18H11ClF3NOS.C18H11ClN2OS.2C16H11FN2OS.C14H10N2OS2/c1-20(2,3)14-7-9-15(10-8-14)21-19(25)18-12-17(22-23-18)13-5-4-6-16(24)11-13;19-13-5-7-14(8-6-13)23-17(24)16-10-9-15(25-16)11-1-3-12(4-2-11)18(20,21)22;19-14-5-7-15(8-6-14)21-18(22)17-10-9-16(23-17)13-3-1-12(11-20)2-4-13;17-12-3-1-11(2-4-12)14-5-6-15(21-14)16(20)19-13-7-9-18-10-8-13;17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(20)19-13-2-1-9-18-10-13;17-14(16-11-3-6-15-7-4-11)13-2-1-12(19-13)10-5-8-18-9-10/h4-12,24H,1-3H3,(H,21,25)(H,22,23);1-10H,(H,23,24);1-10H,(H,21,22);1-10H,(H,18,19,20);1-10H,(H,19,20);1-9H,(H,15,16,17).
What are the key properties of N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide?
N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide has a molecular weight of 1939.10 g/mol, XLogP of 28.39, 18 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 158294425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).