4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide

C17H23N3O3 — CID 37394128

IUPAC4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
SMILESCOc1ccc(OCCCC(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C17H23N3O3/c1-22-15-6-8-16(9-7-15)23-14-2-5-17(21)18-10-3-12-20-13-4-11-19-20/h4,6-9,11,13H,2-3,5,10,12,14H2,1H3,(H,18,21)
InChIKeyUENRSZLVVMPZFC-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.26
Rot. Bonds10

About 4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide

4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide (PubChem CID 37394128) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
PubChem CID37394128
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
SMILESCOc1ccc(OCCCC(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C17H23N3O3/c1-22-15-6-8-16(9-7-15)23-14-2-5-17(21)18-10-3-12-20-13-4-11-19-20/h4,6-9,11,13H,2-3,5,10,12,14H2,1H3,(H,18,21)
InChIKeyUENRSZLVVMPZFC-UHFFFAOYSA-N
XLogP2.26
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyrazol-1-ylbutanamide
CID 71708879
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 86995782
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704
2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115579282
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19508977
2-(2-methoxyethylamino)-N-(3-pyrazol-1-ylpropyl)acetamide;hydrochloride
CID 119709927
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide (CID 37394128) is 4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide is COc1ccc(OCCCC(=O)NCCCn2cccn2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide?
The InChIKey is UENRSZLVVMPZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-22-15-6-8-16(9-7-15)23-14-2-5-17(21)18-10-3-12-20-13-4-11-19-20/h4,6-9,11,13H,2-3,5,10,12,14H2,1H3,(H,18,21).
What are the key properties of 4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide?
4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide has a molecular weight of 317.39 g/mol, XLogP of 2.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide is sourced from PubChem (CID 37394128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).