2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide

C14H18N4O — CID 106591217

IUPAC2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCC(C(=O)NCCn1cccn1)c1cccc(N)c1
InChIInChI=1S/C14H18N4O/c1-11(12-4-2-5-13(15)10-12)14(19)16-7-9-18-8-3-6-17-18/h2-6,8,10-11H,7,9,15H2,1H3,(H,16,19)
InChIKeyGCCZNZOLNXAEOG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.39
Rot. Bonds5

About 2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide

2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide (PubChem CID 106591217) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide
PubChem CID106591217
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCC(C(=O)NCCn1cccn1)c1cccc(N)c1
InChIInChI=1S/C14H18N4O/c1-11(12-4-2-5-13(15)10-12)14(19)16-7-9-18-8-3-6-17-18/h2-6,8,10-11H,7,9,15H2,1H3,(H,16,19)
InChIKeyGCCZNZOLNXAEOG-UHFFFAOYSA-N
XLogP1.39
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 61459957
2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 106591538
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 106591189
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 106590796
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide (CID 106591217) is 2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide is CC(C(=O)NCCn1cccn1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide?
The InChIKey is GCCZNZOLNXAEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(12-4-2-5-13(15)10-12)14(19)16-7-9-18-8-3-6-17-18/h2-6,8,10-11H,7,9,15H2,1H3,(H,16,19).
What are the key properties of 2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide?
2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 106591217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).