4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C50H39Cl2F12N13O3S — CID 157400261

IUPAC4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)s1.Cn1cc(Cl)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)n1.Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C17H13ClF4N4O.C17H14F4N4OS.C16H12ClF4N5O/c1-25-6-5-11(18)15(25)16(27)23-9-3-4-10(12(19)7-9)13-8-14(17(20,21)22)24-26(13)2;1-8-15(27-9(2)22-8)16(26)23-10-4-5-11(12(18)6-10)13-7-14(17(19,20)21)24-25(13)3;1-25-7-10(17)14(24-25)15(27)22-8-3-4-9(11(18)5-8)12-6-13(16(19,20)21)23-26(12)2/h3-8H,1-2H3,(H,23,27);4-7H,1-3H3,(H,23,26);3-7H,1-2H3,(H,22,27)
InChIKeyBNBLRDDXIBOUAZ-UHFFFAOYSA-N
MW1200.90 g/mol
LogP12.94
Rot. Bonds9

About 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 157400261) has the molecular formula C50H39Cl2F12N13O3S and a molecular weight of 1200.90 g/mol. Its IUPAC name is 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID157400261
Molecular FormulaC50H39Cl2F12N13O3S
Molecular Weight1200.90 g/mol
Exact Mass1199.22
IUPAC Name4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)s1.Cn1cc(Cl)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)n1.Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1
InChIInChI=1S/C17H13ClF4N4O.C17H14F4N4OS.C16H12ClF4N5O/c1-25-6-5-11(18)15(25)16(27)23-9-3-4-10(12(19)7-9)13-8-14(17(20,21)22)24-26(13)2;1-8-15(27-9(2)22-8)16(26)23-10-4-5-11(12(18)6-10)13-7-14(17(19,20)21)24-25(13)3;1-25-7-10(17)14(24-25)15(27)22-8-3-4-9(11(18)5-8)12-6-13(16(19,20)21)23-26(12)2/h3-8H,1-2H3,(H,23,27);4-7H,1-3H3,(H,23,26);3-7H,1-2H3,(H,22,27)
InChIKeyBNBLRDDXIBOUAZ-UHFFFAOYSA-N
XLogP12.94
TPSA176.40 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001200.90
LogP ≤ 512.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

3,5-dichloro-N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]pyridine-4-carboxamide;N-[4-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 157778876
4-chloro-3-(1,1-difluoroethyl)-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-5-carboxamide;4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide
CID 159306088
1-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide;2-(1-fluoroethyl)-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-3-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylthiophene-3-carboxamide
CID 160049598
3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluoro-4-methylbenzamide;3-fluoro-N-[(5-methyl-2H-pyrrol-4-yl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 160521822
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,4-dimethylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylbenzamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-2H-pyrrole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide)
CID 160595374
1-benzyl-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 157230051
5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 159315515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 157400261) is 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)s1.Cn1cc(Cl)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)n1.Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1.
What is the InChIKey of 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is BNBLRDDXIBOUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF4N4O.C17H14F4N4OS.C16H12ClF4N5O/c1-25-6-5-11(18)15(25)16(27)23-9-3-4-10(12(19)7-9)13-8-14(17(20,21)22)24-26(13)2;1-8-15(27-9(2)22-8)16(26)23-10-4-5-11(12(18)6-10)13-7-14(17(19,20)21)24-25(13)3;1-25-7-10(17)14(24-25)15(27)22-8-3-4-9(11(18)5-8)12-6-13(16(19,20)21)23-26(12)2/h3-8H,1-2H3,(H,23,27);4-7H,1-3H3,(H,23,26);3-7H,1-2H3,(H,22,27).
What are the key properties of 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 1200.90 g/mol, XLogP of 12.94, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrazole-3-carboxamide;3-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157400261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).