2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide

C15H20N4O2 — CID 115592036

IUPAC2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCCCn2cccn2)cc1
InChIInChI=1S/C15H20N4O2/c16-15(20)12-21-14-5-3-13(4-6-14)11-17-7-1-9-19-10-2-8-18-19/h2-6,8,10,17H,1,7,9,11-12H2,(H2,16,20)
InChIKeyLEKWIVIZLAKLIQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.93
Rot. Bonds9

About 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide

2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide (PubChem CID 115592036) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide
PubChem CID115592036
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCCCn2cccn2)cc1
InChIInChI=1S/C15H20N4O2/c16-15(20)12-21-14-5-3-13(4-6-14)11-17-7-1-9-19-10-2-8-18-19/h2-6,8,10,17H,1,7,9,11-12H2,(H2,16,20)
InChIKeyLEKWIVIZLAKLIQ-UHFFFAOYSA-N
XLogP0.93
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide
CID 100814421
N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide
CID 115592031
N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine
CID 155449267
methyl 4-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]butanoate
CID 60782524
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
2-fluoro-4-[(3-pyrazol-1-ylpropylamino)methyl]benzoic acid
CID 106700408
2-[4-[[3-(1H-1,2,4-triazol-5-yl)propylamino]methyl]phenoxy]acetamide
CID 64547110
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 106833902
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide
CID 43401621
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide (CID 115592036) is 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNCCCn2cccn2)cc1.
What is the InChIKey of 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide?
The InChIKey is LEKWIVIZLAKLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-15(20)12-21-14-5-3-13(4-6-14)11-17-7-1-9-19-10-2-8-18-19/h2-6,8,10,17H,1,7,9,11-12H2,(H2,16,20).
What are the key properties of 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide?
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 115592036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).