3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide

C14H18N4O — CID 62832323

IUPAC3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
SMILESCCNCCC(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H18N4O/c1-2-15-9-7-14(19)17-12-5-3-6-13(11-12)18-10-4-8-16-18/h3-6,8,10-11,15H,2,7,9H2,1H3,(H,17,19)
InChIKeyDUYHYIVKEOKAJG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.81
Rot. Bonds6

About 3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide

3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide (PubChem CID 62832323) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
PubChem CID62832323
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
SMILESCCNCCC(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C14H18N4O/c1-2-15-9-7-14(19)17-12-5-3-6-13(11-12)18-10-4-8-16-18/h3-6,8,10-11,15H,2,7,9H2,1H3,(H,17,19)
InChIKeyDUYHYIVKEOKAJG-UHFFFAOYSA-N
XLogP1.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.81
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

3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 55121130
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 55838147
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
CID 131950327
N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 131903388
3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55700607

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide (CID 62832323) is 3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide is CCNCCC(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide?
The InChIKey is DUYHYIVKEOKAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-15-9-7-14(19)17-12-5-3-6-13(11-12)18-10-4-8-16-18/h3-6,8,10-11,15H,2,7,9H2,1H3,(H,17,19).
What are the key properties of 3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide?
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 62832323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).