4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide

C23H25N3O3 — CID 60612910

IUPAC4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide
SMILESCC(=O)c1cccc(OCCCC(=O)Nc2ccnn2CCc2ccccc2)c1
InChIInChI=1S/C23H25N3O3/c1-18(27)20-9-5-10-21(17-20)29-16-6-11-23(28)25-22-12-14-24-26(22)15-13-19-7-3-2-4-8-19/h2-5,7-10,12,14,17H,6,11,13,15-16H2,1H3,(H,25,28)
InChIKeyFDRDXPVURNMSAD-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.13
Rot. Bonds10

About 4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide

4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide (PubChem CID 60612910) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide
PubChem CID60612910
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide
SMILESCC(=O)c1cccc(OCCCC(=O)Nc2ccnn2CCc2ccccc2)c1
InChIInChI=1S/C23H25N3O3/c1-18(27)20-9-5-10-21(17-20)29-16-6-11-23(28)25-22-12-14-24-26(22)15-13-19-7-3-2-4-8-19/h2-5,7-10,12,14,17H,6,11,13,15-16H2,1H3,(H,25,28)
InChIKeyFDRDXPVURNMSAD-UHFFFAOYSA-N
XLogP4.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
(2R)-2-[4-(3-acetylphenoxy)butanoylamino]-3-phenylpropanoic acid
CID 119367312
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24791036
4-(4-acetylphenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]butanamide
CID 78806576
2-[4-(3-acetylphenoxy)butanoylamino]propanoic acid
CID 119225405
N-[2-(2-phenylethyl)pyrazol-3-yl]-2-prop-2-enylsulfanylacetamide
CID 51103469
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984
4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 52717221
4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
CID 119549182
2-[4-[4-(3-acetylphenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231587
(2R)-2-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]propanamide
CID 119282442

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide?
The IUPAC name of 4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide (CID 60612910) is 4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide?
The canonical SMILES for 4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide is CC(=O)c1cccc(OCCCC(=O)Nc2ccnn2CCc2ccccc2)c1.
What is the InChIKey of 4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide?
The InChIKey is FDRDXPVURNMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-18(27)20-9-5-10-21(17-20)29-16-6-11-23(28)25-22-12-14-24-26(22)15-13-19-7-3-2-4-8-19/h2-5,7-10,12,14,17H,6,11,13,15-16H2,1H3,(H,25,28).
What are the key properties of 4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide?
4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide has a molecular weight of 391.47 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide is sourced from PubChem (CID 60612910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).