N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide

C13H16N4O — CID 82539547

IUPACN-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H16N4O/c1-11(18)14-7-8-15-12-9-16-17(10-12)13-5-3-2-4-6-13/h2-6,9-10,15H,7-8H2,1H3,(H,14,18)
InChIKeyYNRKZBCGSJOLON-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.42
Rot. Bonds5

About N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide

N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide (PubChem CID 82539547) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
PubChem CID82539547
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H16N4O/c1-11(18)14-7-8-15-12-9-16-17(10-12)13-5-3-2-4-6-13/h2-6,9-10,15H,7-8H2,1H3,(H,14,18)
InChIKeyYNRKZBCGSJOLON-UHFFFAOYSA-N
XLogP1.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-(2-phenylethyl)pyrazol-4-amine
CID 82539254
N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide
CID 170489404
2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol
CID 82538414
N-[2-(4-phenylanilino)ethyl]acetamide
CID 103604100
N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
CID 86802727
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
CID 111926533
2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 47036694
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472
2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119753037

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide (CID 82539547) is N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide?
The InChIKey is YNRKZBCGSJOLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-11(18)14-7-8-15-12-9-16-17(10-12)13-5-3-2-4-6-13/h2-6,9-10,15H,7-8H2,1H3,(H,14,18).
What are the key properties of N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide?
N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 82539547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).