N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C44H34F7N9O3S — CID 118392854

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(OC(F)(F)F)c(-c3ccn(C)n3)c2)n(-c2ccc(F)cc2)n1.Cc1nc(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c(-c2ccccc2)s1
InChIInChI=1S/C22H17F4N5O2.C22H17F3N4OS/c1-13-11-20(31(28-13)16-6-4-15(23)5-7-16)27-21(32)14-3-8-19(33-22(24,25)26)17(12-14)18-9-10-30(2)29-18;1-13-26-20(19(31-13)14-6-4-3-5-7-14)27-21(30)15-8-9-17(22(23,24)25)16(12-15)18-10-11-29(2)28-18/h3-12H,1-2H3,(H,27,32);3-12H,1-2H3,(H,27,30)
InChIKeyACMGGLHKTPKLNY-UHFFFAOYSA-N
MW901.87 g/mol
LogP10.66
Rot. Bonds9

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392854) has the molecular formula C44H34F7N9O3S and a molecular weight of 901.87 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392854
Molecular FormulaC44H34F7N9O3S
Molecular Weight901.87 g/mol
Exact Mass901.24
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(OC(F)(F)F)c(-c3ccn(C)n3)c2)n(-c2ccc(F)cc2)n1.Cc1nc(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c(-c2ccccc2)s1
InChIInChI=1S/C22H17F4N5O2.C22H17F3N4OS/c1-13-11-20(31(28-13)16-6-4-15(23)5-7-16)27-21(32)14-3-8-19(33-22(24,25)26)17(12-14)18-9-10-30(2)29-18;1-13-26-20(19(31-13)14-6-4-3-5-7-14)27-21(30)15-8-9-17(22(23,24)25)16(12-15)18-10-11-29(2)28-18/h3-12H,1-2H3,(H,27,32);3-12H,1-2H3,(H,27,30)
InChIKeyACMGGLHKTPKLNY-UHFFFAOYSA-N
XLogP10.66
TPSA133.78 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.87
LogP ≤ 510.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118392854) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cc1cc(NC(=O)c2ccc(OC(F)(F)F)c(-c3ccn(C)n3)c2)n(-c2ccc(F)cc2)n1.Cc1nc(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)c(-c2ccccc2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ACMGGLHKTPKLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O2.C22H17F3N4OS/c1-13-11-20(31(28-13)16-6-4-15(23)5-7-16)27-21(32)14-3-8-19(33-22(24,25)26)17(12-14)18-9-10-30(2)29-18;1-13-26-20(19(31-13)14-6-4-3-5-7-14)27-21(30)15-8-9-17(22(23,24)25)16(12-15)18-10-11-29(2)28-18/h3-12H,1-2H3,(H,27,32);3-12H,1-2H3,(H,27,30).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 901.87 g/mol, XLogP of 10.66, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).