3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide

C17H17N3O2 — CID 37392558

IUPAC3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1occc1-c1ccccc1
InChIInChI=1S/C17H17N3O2/c21-17(18-9-4-11-20-12-5-10-19-20)16-15(8-13-22-16)14-6-2-1-3-7-14/h1-3,5-8,10,12-13H,4,9,11H2,(H,18,21)
InChIKeyONBUVWGVGSHOCJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.96
Rot. Bonds6

About 3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide

3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide (PubChem CID 37392558) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
PubChem CID37392558
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1occc1-c1ccccc1
InChIInChI=1S/C17H17N3O2/c21-17(18-9-4-11-20-12-5-10-19-20)16-15(8-13-22-16)14-6-2-1-3-7-14/h1-3,5-8,10,12-13H,4,9,11H2,(H,18,21)
InChIKeyONBUVWGVGSHOCJ-UHFFFAOYSA-N
XLogP2.96
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.96
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

3-(benzenesulfonylmethyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37393089
3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 43045643
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
N-(3-hydroxypentyl)-3-phenylfuran-2-carboxamide
CID 115703850
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111904534
5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37393794
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 107832817
2-hydroxy-2,2-diphenyl-N-(3-pyrazol-1-ylpropyl)acetamide
CID 110887930
4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid
CID 113412435

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of 3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide (CID 37392558) is 3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide is O=C(NCCCn1cccn1)c1occc1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The InChIKey is ONBUVWGVGSHOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17(18-9-4-11-20-12-5-10-19-20)16-15(8-13-22-16)14-6-2-1-3-7-14/h1-3,5-8,10,12-13H,4,9,11H2,(H,18,21).
What are the key properties of 3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 37392558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).