3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide

C98H93F3N26O20 — CID 158105333

IUPAC3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide
SMILESCC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1c(C)[nH]n(-c2cccc([N+](=O)[O-])c2)c1=O.CC(=NNC(=O)c1ccc(O)cc1O)c1c(C)[nH]n(-c2cccc([N+](=O)[O-])c2)c1=O.CC(=NNC(=O)c1ccc(O)cc1O)c1c(C)[nH]n(-c2ccccn2)c1=O.CC(=NNC(=O)c1cccc(N)c1)c1c(C)[nH]n(-c2cccc(C(F)(F)F)c2)c1=O.CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1c(C)[nH]n(-c2ccccn2)c1=O
InChIInChI=1S/C23H25N5O4.C20H18F3N5O2.C19H17N5O6.C18H16N6O4.C18H17N5O4/c1-14(24-25-21(29)16-9-11-17(12-10-16)23(3,4)5)20-15(2)26-27(22(20)30)18-7-6-8-19(13-18)28(31)32;1-11(25-26-18(29)13-5-3-7-15(24)9-13)17-12(2)27-28(19(17)30)16-8-4-6-14(10-16)20(21,22)23;1-10(20-21-18(27)15-7-6-14(25)9-16(15)26)17-11(2)22-23(19(17)28)12-4-3-5-13(8-12)24(29)30;1-11(20-21-17(25)13-6-5-7-14(10-13)24(27)28)16-12(2)22-23(18(16)26)15-8-3-4-9-19-15;1-10(20-21-17(26)13-7-6-12(24)9-14(13)25)16-11(2)22-23(18(16)27)15-5-3-4-8-19-15/h6-13,26H,1-5H3,(H,25,29);3-10,27H,24H2,1-2H3,(H,26,29);3-9,22,25-26H,1-2H3,(H,21,27);3-10,22H,1-2H3,(H,21,25);3-9,22,24-25H,1-2H3,(H,21,26)
InChIKeyDZMBDLSEOWUYOY-UHFFFAOYSA-N
MW2011.98 g/mol
LogP12.38
Rot. Bonds23

About 3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide

3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide (PubChem CID 158105333) has the molecular formula C98H93F3N26O20 and a molecular weight of 2011.98 g/mol. Its IUPAC name is 3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide
PubChem CID158105333
Molecular FormulaC98H93F3N26O20
Molecular Weight2011.98 g/mol
Exact Mass2010.70
IUPAC Name3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide
SMILESCC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1c(C)[nH]n(-c2cccc([N+](=O)[O-])c2)c1=O.CC(=NNC(=O)c1ccc(O)cc1O)c1c(C)[nH]n(-c2cccc([N+](=O)[O-])c2)c1=O.CC(=NNC(=O)c1ccc(O)cc1O)c1c(C)[nH]n(-c2ccccn2)c1=O.CC(=NNC(=O)c1cccc(N)c1)c1c(C)[nH]n(-c2cccc(C(F)(F)F)c2)c1=O.CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1c(C)[nH]n(-c2ccccn2)c1=O
InChIInChI=1S/C23H25N5O4.C20H18F3N5O2.C19H17N5O6.C18H16N6O4.C18H17N5O4/c1-14(24-25-21(29)16-9-11-17(12-10-16)23(3,4)5)20-15(2)26-27(22(20)30)18-7-6-8-19(13-18)28(31)32;1-11(25-26-18(29)13-5-3-7-15(24)9-13)17-12(2)27-28(19(17)30)16-8-4-6-14(10-16)20(21,22)23;1-10(20-21-18(27)15-7-6-14(25)9-16(15)26)17-11(2)22-23(19(17)28)12-4-3-5-13(8-12)24(29)30;1-11(20-21-17(25)13-6-5-7-14(10-13)24(27)28)16-12(2)22-23(18(16)26)15-8-3-4-9-19-15;1-10(20-21-17(26)13-7-6-12(24)9-14(13)25)16-11(2)22-23(18(16)27)15-5-3-4-8-19-15/h6-13,26H,1-5H3,(H,25,29);3-10,27H,24H2,1-2H3,(H,26,29);3-9,22,25-26H,1-2H3,(H,21,27);3-10,22H,1-2H3,(H,21,25);3-9,22,24-25H,1-2H3,(H,21,26)
InChIKeyDZMBDLSEOWUYOY-UHFFFAOYSA-N
XLogP12.38
TPSA658.39 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002011.98
LogP ≤ 512.38
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide with MolForge

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Related Compounds

2,4-dihydroxy-N-[(E)-1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide
CID 137031467
2,4-dihydroxy-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;2-hydroxy-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-hydroxy-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;3-hydroxy-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide
CID 159203431
3-amino-N-[(E)-1-[2-(4-tert-butylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide
CID 137158426
N-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide
CID 135411764
N-[1-[2-(4-tert-butylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]-3,4-dihydroxybenzamide
CID 136636447
3-hydroxy-N-[1-[5-methyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]naphthalene-2-carboxamide
CID 136659082
N-[1-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]-3-hydroxybenzamide
CID 136610246
N-[1-(4-tert-butylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3383793
N-[1-[2-[3-(fluoromethyl)phenyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]-3,4-dihydroxybenzamide
CID 173466399
N-[(E)-1-[2-(4-iodophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]-4-nitrobenzamide
CID 137035235
3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872063
3-bromo-N-[(Z)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylideneamino]benzamide
CID 135648521

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide?
The IUPAC name of 3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide (CID 158105333) is 3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide.
What is the SMILES notation for 3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide?
The canonical SMILES for 3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide is CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1c(C)[nH]n(-c2cccc([N+](=O)[O-])c2)c1=O.CC(=NNC(=O)c1ccc(O)cc1O)c1c(C)[nH]n(-c2cccc([N+](=O)[O-])c2)c1=O.CC(=NNC(=O)c1ccc(O)cc1O)c1c(C)[nH]n(-c2ccccn2)c1=O.CC(=NNC(=O)c1cccc(N)c1)c1c(C)[nH]n(-c2cccc(C(F)(F)F)c2)c1=O.CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1c(C)[nH]n(-c2ccccn2)c1=O.
What is the InChIKey of 3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide?
The InChIKey is DZMBDLSEOWUYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4.C20H18F3N5O2.C19H17N5O6.C18H16N6O4.C18H17N5O4/c1-14(24-25-21(29)16-9-11-17(12-10-16)23(3,4)5)20-15(2)26-27(22(20)30)18-7-6-8-19(13-18)28(31)32;1-11(25-26-18(29)13-5-3-7-15(24)9-13)17-12(2)27-28(19(17)30)16-8-4-6-14(10-16)20(21,22)23;1-10(20-21-18(27)15-7-6-14(25)9-16(15)26)17-11(2)22-23(19(17)28)12-4-3-5-13(8-12)24(29)30;1-11(20-21-17(25)13-6-5-7-14(10-13)24(27)28)16-12(2)22-23(18(16)26)15-8-3-4-9-19-15;1-10(20-21-17(26)13-7-6-12(24)9-14(13)25)16-11(2)22-23(18(16)27)15-5-3-4-8-19-15/h6-13,26H,1-5H3,(H,25,29);3-10,27H,24H2,1-2H3,(H,26,29);3-9,22,25-26H,1-2H3,(H,21,27);3-10,22H,1-2H3,(H,21,25);3-9,22,24-25H,1-2H3,(H,21,26).
What are the key properties of 3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide?
3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide has a molecular weight of 2011.98 g/mol, XLogP of 12.38, 23 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]ethylideneamino]benzamide;4-tert-butyl-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-[5-methyl-2-(3-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]ethylideneamino]benzamide;2,4-dihydroxy-N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]benzamide;N-[1-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)ethylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 158105333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).