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

C24H22N4O — CID 135138265

IUPACN-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
SMILESNc1cccc(CCNC(=O)c2ccccc2-c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C24H22N4O/c25-19-10-6-7-17(15-19)13-14-26-24(29)21-12-5-4-11-20(21)23-16-22(27-28-23)18-8-2-1-3-9-18/h1-12,15-16H,13-14,25H2,(H,26,29)(H,27,28)
InChIKeyHIOWZNUATFQGPR-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.30
Rot. Bonds6

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

N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide (PubChem CID 135138265) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
PubChem CID135138265
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
SMILESNc1cccc(CCNC(=O)c2ccccc2-c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C24H22N4O/c25-19-10-6-7-17(15-19)13-14-26-24(29)21-12-5-4-11-20(21)23-16-22(27-28-23)18-8-2-1-3-9-18/h1-12,15-16H,13-14,25H2,(H,26,29)(H,27,28)
InChIKeyHIOWZNUATFQGPR-UHFFFAOYSA-N
XLogP4.30
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135132671
2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 134462934
2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 135138660
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 135138513
N-[3-[(3-aminobenzoyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990206
N-methyl-2-[3-[3-[5-[2-[1-(methylamino)ethenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]benzamide
CID 145326488
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75500880
2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide
CID 68970037
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 46091890
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide (CID 135138265) is N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide is Nc1cccc(CCNC(=O)c2ccccc2-c2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is HIOWZNUATFQGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c25-19-10-6-7-17(15-19)13-14-26-24(29)21-12-5-4-11-20(21)23-16-22(27-28-23)18-8-2-1-3-9-18/h1-12,15-16H,13-14,25H2,(H,26,29)(H,27,28).
What are the key properties of N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide?
N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 382.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 135138265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).