2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide

C19H21N3O2 — CID 5308195

IUPAC2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCc1cc(-c2ccco2)n(CC(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C19H21N3O2/c1-15-13-17(18-10-6-12-24-18)22(21-15)14-19(23)20-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12-13H,5,9,11,14H2,1H3,(H,20,23)
InChIKeyVKLOLSDYTTWNPB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.20
Rot. Bonds7

About 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide

2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 5308195) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
PubChem CID5308195
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCc1cc(-c2ccco2)n(CC(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C19H21N3O2/c1-15-13-17(18-10-6-12-24-18)22(21-15)14-19(23)20-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12-13H,5,9,11,14H2,1H3,(H,20,23)
InChIKeyVKLOLSDYTTWNPB-UHFFFAOYSA-N
XLogP3.20
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.20
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

2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 121064050
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 2100313
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 22509817
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-phenylpropyl)acetamide
CID 53056256
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 32514079
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 8009619
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide
CID 20884684
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide
CID 131951454

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide (CID 5308195) is 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide is Cc1cc(-c2ccco2)n(CC(=O)NCCCc2ccccc2)n1.
What is the InChIKey of 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is VKLOLSDYTTWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15-13-17(18-10-6-12-24-18)22(21-15)14-19(23)20-11-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,12-13H,5,9,11,14H2,1H3,(H,20,23).
What are the key properties of 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide?
2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 5308195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).