2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline

C47H35F14N9O — CID 158139864

IUPAC2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(N)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)c(F)c1
InChIInChI=1S/C18H12F5N3O.C18H14F5N3.C11H9F4N3/c1-26-15(9-16(25-26)18(21,22)23)10-6-7-14(13(20)8-10)24-17(27)11-4-2-3-5-12(11)19;1-26-16(9-17(25-26)18(21,22)23)11-6-7-15(14(20)8-11)24-10-12-4-2-3-5-13(12)19;1-18-9(5-10(17-18)11(13,14)15)6-2-3-8(16)7(12)4-6/h2-9H,1H3,(H,24,27);2-9,24H,10H2,1H3;2-5H,16H2,1H3
InChIKeyFTUNTRBTWVTTMN-UHFFFAOYSA-N
MW1007.83 g/mol
LogP12.46
Rot. Bonds8

About 2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline

2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline (PubChem CID 158139864) has the molecular formula C47H35F14N9O and a molecular weight of 1007.83 g/mol. Its IUPAC name is 2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
PubChem CID158139864
Molecular FormulaC47H35F14N9O
Molecular Weight1007.83 g/mol
Exact Mass1007.27
IUPAC Name2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(N)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)c(F)c1
InChIInChI=1S/C18H12F5N3O.C18H14F5N3.C11H9F4N3/c1-26-15(9-16(25-26)18(21,22)23)10-6-7-14(13(20)8-10)24-17(27)11-4-2-3-5-12(11)19;1-26-16(9-17(25-26)18(21,22)23)11-6-7-15(14(20)8-11)24-10-12-4-2-3-5-13(12)19;1-18-9(5-10(17-18)11(13,14)15)6-2-3-8(16)7(12)4-6/h2-9H,1H3,(H,24,27);2-9,24H,10H2,1H3;2-5H,16H2,1H3
InChIKeyFTUNTRBTWVTTMN-UHFFFAOYSA-N
XLogP12.46
TPSA120.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.83
LogP ≤ 512.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 9917244
2-(4-fluorophenyl)-N-[3-[[4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methylcarbamoyl]phenyl]benzamide
CID 15542820
N-(2,3-difluoro-4-methylphenyl)-4-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorobenzamide
CID 54596275
N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide
CID 56941814
4-fluoro-N-[3-fluoro-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-2-methylbenzamide
CID 89515284
2,4,6-trifluoro-N-(4-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)phenyl)benzamide
CID 89515380
N-(4-(3-(difluoromethyl)-1-methyl-1H-pyrazol-5-yl)-3-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 89515913
N-[4-[3-[difluoro(iodo)methyl]-1-methylpyrazol-5-yl]-3,5-difluorophenyl]-2,4-difluorobenzamide
CID 89520183
N-[4-[3-[difluoro(iodo)methyl]-1-methylpyrazol-5-yl]-2-fluorophenyl]-2,6-difluorobenzamide
CID 89520222
2-fluoro-N-[3-fluoro-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
CID 89520325
2-fluoro-N-[3-fluoro-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-6-methylbenzamide
CID 89520328
N-{3,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl}(2,6-difluorophenyl)carboxamide
CID 89520367

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?
The IUPAC name of 2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline (CID 158139864) is 2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline.
What is the SMILES notation for 2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?
The canonical SMILES for 2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline is Cn1nc(C(F)(F)F)cc1-c1ccc(N)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)c(F)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)c(F)c1.
What is the InChIKey of 2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?
The InChIKey is FTUNTRBTWVTTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O.C18H14F5N3.C11H9F4N3/c1-26-15(9-16(25-26)18(21,22)23)10-6-7-14(13(20)8-10)24-17(27)11-4-2-3-5-12(11)19;1-26-16(9-17(25-26)18(21,22)23)11-6-7-15(14(20)8-11)24-10-12-4-2-3-5-13(12)19;1-18-9(5-10(17-18)11(13,14)15)6-2-3-8(16)7(12)4-6/h2-9H,1H3,(H,24,27);2-9,24H,10H2,1H3;2-5H,16H2,1H3.
What are the key properties of 2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?
2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline has a molecular weight of 1007.83 g/mol, XLogP of 12.46, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;2-fluoro-N-[(2-fluorophenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline;2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline is sourced from PubChem (CID 158139864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).