3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide

C98H89F15N20O7 — CID 159971722

IUPAC3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide
SMILESCCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2N)n(CC)n1.CCc1cc(-c2ccc(C(=O)Nc3ccc(C)c(F)c3F)cc2[N+](=O)[O-])n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2cccc(C)c2)cc1N.Cc1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)c(N)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1N
InChIInChI=1S/C21H20F2N4O3.C20H19F3N4O.C20H20F2N4O.C19H17F3N4O.C18H13F5N4O/c1-4-14-11-17(26(5-2)25-14)15-8-7-13(10-18(15)27(29)30)21(28)24-16-9-6-12(3)19(22)20(16)23;1-3-27-17(11-18(26-27)20(21,22)23)15-8-7-13(10-16(15)24)19(28)25-14-6-4-5-12(2)9-14;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-11-5-3-4-6-15(11)24-18(27)12-7-8-13(14(23)9-12)16-10-17(19(20,21)22)25-26(16)2;1-27-14(8-15(26-27)18(21,22)23)10-6-5-9(7-13(10)24)17(28)25-16-11(19)3-2-4-12(16)20/h6-11H,4-5H2,1-3H3,(H,24,28);4-11H,3,24H2,1-2H3,(H,25,28);5-11H,3-4,23H2,1-2H3,(H,24,27);3-10H,23H2,1-2H3,(H,24,27);2-8H,24H2,1H3,(H,25,28)
InChIKeyOEQBMAIQKPXCGR-UHFFFAOYSA-N
MW1943.89 g/mol
LogP22.32
Rot. Bonds21

About 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide

3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide (PubChem CID 159971722) has the molecular formula C98H89F15N20O7 and a molecular weight of 1943.89 g/mol. Its IUPAC name is 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide
PubChem CID159971722
Molecular FormulaC98H89F15N20O7
Molecular Weight1943.89 g/mol
Exact Mass1942.70
IUPAC Name3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide
SMILESCCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2N)n(CC)n1.CCc1cc(-c2ccc(C(=O)Nc3ccc(C)c(F)c3F)cc2[N+](=O)[O-])n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2cccc(C)c2)cc1N.Cc1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)c(N)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1N
InChIInChI=1S/C21H20F2N4O3.C20H19F3N4O.C20H20F2N4O.C19H17F3N4O.C18H13F5N4O/c1-4-14-11-17(26(5-2)25-14)15-8-7-13(10-18(15)27(29)30)21(28)24-16-9-6-12(3)19(22)20(16)23;1-3-27-17(11-18(26-27)20(21,22)23)15-8-7-13(10-16(15)24)19(28)25-14-6-4-5-12(2)9-14;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-11-5-3-4-6-15(11)24-18(27)12-7-8-13(14(23)9-12)16-10-17(19(20,21)22)25-26(16)2;1-27-14(8-15(26-27)18(21,22)23)10-6-5-9(7-13(10)24)17(28)25-16-11(19)3-2-4-12(16)20/h6-11H,4-5H2,1-3H3,(H,24,28);4-11H,3,24H2,1-2H3,(H,25,28);5-11H,3-4,23H2,1-2H3,(H,24,27);3-10H,23H2,1-2H3,(H,24,27);2-8H,24H2,1H3,(H,25,28)
InChIKeyOEQBMAIQKPXCGR-UHFFFAOYSA-N
XLogP22.32
TPSA381.82 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001943.89
LogP ≤ 522.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide (CID 159971722) is 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide is CCc1cc(-c2ccc(C(=O)Nc3c(F)cccc3F)cc2N)n(CC)n1.CCc1cc(-c2ccc(C(=O)Nc3ccc(C)c(F)c3F)cc2[N+](=O)[O-])n(CC)n1.CCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2cccc(C)c2)cc1N.Cc1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)c(N)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1N.
What is the InChIKey of 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide?
The InChIKey is OEQBMAIQKPXCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3.C20H19F3N4O.C20H20F2N4O.C19H17F3N4O.C18H13F5N4O/c1-4-14-11-17(26(5-2)25-14)15-8-7-13(10-18(15)27(29)30)21(28)24-16-9-6-12(3)19(22)20(16)23;1-3-27-17(11-18(26-27)20(21,22)23)15-8-7-13(10-16(15)24)19(28)25-14-6-4-5-12(2)9-14;1-3-13-11-18(26(4-2)25-13)14-9-8-12(10-17(14)23)20(27)24-19-15(21)6-5-7-16(19)22;1-11-5-3-4-6-15(11)24-18(27)12-7-8-13(14(23)9-12)16-10-17(19(20,21)22)25-26(16)2;1-27-14(8-15(26-27)18(21,22)23)10-6-5-9(7-13(10)24)17(28)25-16-11(19)3-2-4-12(16)20/h6-11H,4-5H2,1-3H3,(H,24,28);4-11H,3,24H2,1-2H3,(H,25,28);5-11H,3-4,23H2,1-2H3,(H,24,27);3-10H,23H2,1-2H3,(H,24,27);2-8H,24H2,1H3,(H,25,28).
What are the key properties of 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide?
3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide has a molecular weight of 1943.89 g/mol, XLogP of 22.32, 21 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)benzamide;3-amino-N-(2,6-difluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-amino-4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methylphenyl)benzamide;3-amino-N-(2-methylphenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;4-(1,3-diethylpyrazol-5-yl)-N-(2,3-difluoro-4-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 159971722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).