4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide

C19H19N3O2 — CID 38779444

IUPAC4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c23-19(7-4-14-24-17-5-2-1-3-6-17)21-16-10-8-15(9-11-16)18-12-13-20-22-18/h1-3,5-6,8-13H,4,7,14H2,(H,20,22)(H,21,23)
InChIKeyWOGXFYQNMRQMHD-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.87
Rot. Bonds7

About 4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide

4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide (PubChem CID 38779444) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
PubChem CID38779444
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c23-19(7-4-14-24-17-5-2-1-3-6-17)21-16-10-8-15(9-11-16)18-12-13-20-22-18/h1-3,5-6,8-13H,4,7,14H2,(H,20,22)(H,21,23)
InChIKeyWOGXFYQNMRQMHD-UHFFFAOYSA-N
XLogP3.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 47282826
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
CID 47174001
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
2-(4-ethoxyphenyl)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38779334
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide (CID 38779444) is 4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide is O=C(CCCOc1ccccc1)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
The InChIKey is WOGXFYQNMRQMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(7-4-14-24-17-5-2-1-3-6-17)21-16-10-8-15(9-11-16)18-12-13-20-22-18/h1-3,5-6,8-13H,4,7,14H2,(H,20,22)(H,21,23).
What are the key properties of 4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide?
4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide has a molecular weight of 321.38 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 38779444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).