2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide

C14H18N4O2 — CID 104616215

IUPAC2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)COc2cccc(N)c2)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-2-4-11-8-13(18-17-11)16-14(19)9-20-12-6-3-5-10(15)7-12/h3,5-8H,2,4,9,15H2,1H3,(H2,16,17,18,19)
InChIKeyHVFZFGXKDUVVDX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.96
Rot. Bonds6

About 2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide

2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (PubChem CID 104616215) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
PubChem CID104616215
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
SMILESCCCc1cc(NC(=O)COc2cccc(N)c2)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-2-4-11-8-13(18-17-11)16-14(19)9-20-12-6-3-5-10(15)7-12/h3,5-8H,2,4,9,15H2,1H3,(H2,16,17,18,19)
InChIKeyHVFZFGXKDUVVDX-UHFFFAOYSA-N
XLogP1.96
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621179
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
2-(3-aminophenoxy)-N-(5-fluoro-2-pyridinyl)acetamide
CID 65481050
3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616231
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 61090242
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616145
2-(3-aminophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 61034814
2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 61034938
2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 61459957

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide (CID 104616215) is 2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is CCCc1cc(NC(=O)COc2cccc(N)c2)n[nH]1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is HVFZFGXKDUVVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-4-11-8-13(18-17-11)16-14(19)9-20-12-6-3-5-10(15)7-12/h3,5-8H,2,4,9,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide?
2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 104616215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).