3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide

C15H18ClN3O2 — CID 47035676

IUPAC3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESO=C(CCOc1ccc(Cl)cc1)NCCCn1cccn1
InChIInChI=1S/C15H18ClN3O2/c16-13-3-5-14(6-4-13)21-12-7-15(20)17-8-1-10-19-11-2-9-18-19/h2-6,9,11H,1,7-8,10,12H2,(H,17,20)
InChIKeyNNQIOZUTTFPUGG-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.51
Rot. Bonds8

About 3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide

3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide (PubChem CID 47035676) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide
PubChem CID47035676
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESO=C(CCOc1ccc(Cl)cc1)NCCCn1cccn1
InChIInChI=1S/C15H18ClN3O2/c16-13-3-5-14(6-4-13)21-12-7-15(20)17-8-1-10-19-11-2-9-18-19/h2-6,9,11H,1,7-8,10,12H2,(H,17,20)
InChIKeyNNQIOZUTTFPUGG-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide (CID 47035676) is 3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide is O=C(CCOc1ccc(Cl)cc1)NCCCn1cccn1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide?
The InChIKey is NNQIOZUTTFPUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-13-3-5-14(6-4-13)21-12-7-15(20)17-8-1-10-19-11-2-9-18-19/h2-6,9,11H,1,7-8,10,12H2,(H,17,20).
What are the key properties of 3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide?
3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide has a molecular weight of 307.78 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide is sourced from PubChem (CID 47035676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).