3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide

C16H21N3O2 — CID 95990109

IUPAC3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCCOCCC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H21N3O2/c1-3-21-12-9-16(20)18-13(2)14-5-7-15(8-6-14)19-11-4-10-17-19/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyDGUVYNBYHDWWDZ-CYBMUJFWSA-N
MW287.36 g/mol
LogP2.48
Rot. Bonds7

About 3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide

3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide (PubChem CID 95990109) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
PubChem CID95990109
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCCOCCC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H21N3O2/c1-3-21-12-9-16(20)18-13(2)14-5-7-15(8-6-14)19-11-4-10-17-19/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyDGUVYNBYHDWWDZ-CYBMUJFWSA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
CID 120593675
2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 111540891
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
4-ethoxy-N-[1-[4-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]ethyl]butanamide
CID 71880877
N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 45153639
4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
CID 97088570
3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 131907822
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111509387
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952
1-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 96518673

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide (CID 95990109) is 3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide is CCOCCC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is DGUVYNBYHDWWDZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-21-12-9-16(20)18-13(2)14-5-7-15(8-6-14)19-11-4-10-17-19/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 95990109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).