2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide

C23H21N5O — CID 135138660

IUPAC2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESNc1ccccc1-c1cc(-c2ccccc2C(=O)NCCc2ccccn2)[nH]n1
InChIInChI=1S/C23H21N5O/c24-20-11-4-3-10-19(20)22-15-21(27-28-22)17-8-1-2-9-18(17)23(29)26-14-12-16-7-5-6-13-25-16/h1-11,13,15H,12,14,24H2,(H,26,29)(H,27,28)
InChIKeyVWVAQCYIIRNIFH-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.69
Rot. Bonds6

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

2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 135138660) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID135138660
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESNc1ccccc1-c1cc(-c2ccccc2C(=O)NCCc2ccccn2)[nH]n1
InChIInChI=1S/C23H21N5O/c24-20-11-4-3-10-19(20)22-15-21(27-28-22)17-8-1-2-9-18(17)23(29)26-14-12-16-7-5-6-13-25-16/h1-11,13,15H,12,14,24H2,(H,26,29)(H,27,28)
InChIKeyVWVAQCYIIRNIFH-UHFFFAOYSA-N
XLogP3.69
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 134462934
2-(2-ethylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 142054987
2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
CID 61095096
3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 115548148
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135138265
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135132671
2-amino-6-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 24701596
2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
CID 137293900
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
6-amino-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 62152173

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide (CID 135138660) is 2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide is Nc1ccccc1-c1cc(-c2ccccc2C(=O)NCCc2ccccn2)[nH]n1.
What is the InChIKey of 2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is VWVAQCYIIRNIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-20-11-4-3-10-19(20)22-15-21(27-28-22)17-8-1-2-9-18(17)23(29)26-14-12-16-7-5-6-13-25-16/h1-11,13,15H,12,14,24H2,(H,26,29)(H,27,28).
What are the key properties of 2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide?
2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 383.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 135138660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).