N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide

C23H21N5O — CID 22478720

IUPACN-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C23H21N5O/c24-19-8-4-5-9-20(19)26-23(29)18-12-10-16(11-13-18)15-25-22-14-21(27-28-22)17-6-2-1-3-7-17/h1-14H,15,24H2,(H,26,29)(H2,25,27,28)
InChIKeyHXMXNJWVDJDXHL-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.52
Rot. Bonds6

About N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide

N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide (PubChem CID 22478720) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide
PubChem CID22478720
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNc2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C23H21N5O/c24-19-8-4-5-9-20(19)26-23(29)18-12-10-16(11-13-18)15-25-22-14-21(27-28-22)17-6-2-1-3-7-17/h1-14H,15,24H2,(H,26,29)(H2,25,27,28)
InChIKeyHXMXNJWVDJDXHL-UHFFFAOYSA-N
XLogP4.52
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide (CID 22478720) is N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNc2cc(-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide?
The InChIKey is HXMXNJWVDJDXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-19-8-4-5-9-20(19)26-23(29)18-12-10-16(11-13-18)15-25-22-14-21(27-28-22)17-6-2-1-3-7-17/h1-14H,15,24H2,(H,26,29)(H2,25,27,28).
What are the key properties of N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide has a molecular weight of 383.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(5-phenyl-1H-pyrazol-3-yl)amino]methyl]benzamide is sourced from PubChem (CID 22478720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).