4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide

C19H19N3O2 — CID 31907161

IUPAC4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H19N3O2/c23-19(8-4-15-24-18-6-2-1-3-7-18)21-16-9-11-17(12-10-16)22-14-5-13-20-22/h1-3,5-7,9-14H,4,8,15H2,(H,21,23)
InChIKeyASGZPHKYGBQWLE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.67
Rot. Bonds7

About 4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide

4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide (PubChem CID 31907161) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
PubChem CID31907161
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H19N3O2/c23-19(8-4-15-24-18-6-2-1-3-7-18)21-16-9-11-17(12-10-16)22-14-5-13-20-22/h1-3,5-7,9-14H,4,8,15H2,(H,21,23)
InChIKeyASGZPHKYGBQWLE-UHFFFAOYSA-N
XLogP3.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.67
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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Related Compounds

4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25333573
7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
CID 43704126
4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 38779444
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 38416896
3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78866618
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide
CID 110666646
N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
CID 111116155
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
2-(4-pyrazol-1-ylphenoxy)ethylcarbamic acid
CID 18532928

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide?
The IUPAC name of 4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide (CID 31907161) is 4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide.
What is the SMILES notation for 4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide?
The canonical SMILES for 4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide is O=C(CCCOc1ccccc1)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide?
The InChIKey is ASGZPHKYGBQWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(8-4-15-24-18-6-2-1-3-7-18)21-16-9-11-17(12-10-16)22-14-5-13-20-22/h1-3,5-7,9-14H,4,8,15H2,(H,21,23).
What are the key properties of 4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide?
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide has a molecular weight of 321.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide is sourced from PubChem (CID 31907161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).