N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid

C25H27F3N4O4 — CID 175752265

IUPACN-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
SMILESO=C(NO)c1ccc(CCCn2cc(CNC3CC3c3ccccc3)cn2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H26N4O2.C2HF3O2/c28-23(26-29)20-10-8-17(9-11-20)5-4-12-27-16-18(15-25-27)14-24-22-13-21(22)19-6-2-1-3-7-19;3-2(4,5)1(6)7/h1-3,6-11,15-16,21-22,24,29H,4-5,12-14H2,(H,26,28);(H,6,7)
InChIKeyAKRQCNDYQPIXJM-UHFFFAOYSA-N
MW504.51 g/mol
LogP3.91
Rot. Bonds9

About N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid

N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 175752265) has the molecular formula C25H27F3N4O4 and a molecular weight of 504.51 g/mol. Its IUPAC name is N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
PubChem CID175752265
Molecular FormulaC25H27F3N4O4
Molecular Weight504.51 g/mol
Exact Mass504.20
IUPAC NameN-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
SMILESO=C(NO)c1ccc(CCCn2cc(CNC3CC3c3ccccc3)cn2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H26N4O2.C2HF3O2/c28-23(26-29)20-10-8-17(9-11-20)5-4-12-27-16-18(15-25-27)14-24-22-13-21(22)19-6-2-1-3-7-19;3-2(4,5)1(6)7/h1-3,6-11,15-16,21-22,24,29H,4-5,12-14H2,(H,26,28);(H,6,7)
InChIKeyAKRQCNDYQPIXJM-UHFFFAOYSA-N
XLogP3.91
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.51
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 162640822
N-hydroxy-4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752167
N-(2-aminophenyl)-4-[3-[4-[[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752273
N-hydroxy-4-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]sulfonylbenzamide;2,2,2-trifluoroacetic acid
CID 175752354
N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide
CID 162647700
N-benzyl-4-[2-[(2-methylphenyl)methylamino]cyclopropyl]benzamide;2,2,2-trifluoroacetic acid
CID 118305002
N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 55134665
N-benzyl-4-[2-(2-phenylethylamino)cyclopropyl]benzamide
CID 118304730
N-(2-amino-5-fluorophenyl)-4-[3-[4-[[[2-(4-fluorophenyl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752358
N-(2-aminophenyl)-4-[3-[4-[[[(1S,2R)-2-(1-phenylpyrazol-4-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 169179898
4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole
CID 59479881
N-benzyl-4-[(1S,2R)-2-[(2-fluoro-5-methoxyphenyl)methylamino]cyclopropyl]benzamide;2,2,2-trifluoroacetic acid
CID 118304923

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid (CID 175752265) is N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid is O=C(NO)c1ccc(CCCn2cc(CNC3CC3c3ccccc3)cn2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is AKRQCNDYQPIXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.C2HF3O2/c28-23(26-29)20-10-8-17(9-11-20)5-4-12-27-16-18(15-25-27)14-24-22-13-21(22)19-6-2-1-3-7-19;3-2(4,5)1(6)7/h1-3,6-11,15-16,21-22,24,29H,4-5,12-14H2,(H,26,28);(H,6,7).
What are the key properties of N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid?
N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 504.51 g/mol, XLogP of 3.91, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175752265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).