4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide

C18H23N3O2 — CID 71691260

IUPAC4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide
SMILESO=C(NCCCn1cccn1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C18H23N3O2/c22-17(19-10-4-12-21-13-5-11-20-21)18(8-14-23-15-9-18)16-6-2-1-3-7-16/h1-3,5-7,11,13H,4,8-10,12,14-15H2,(H,19,22)
InChIKeyGHDPAKQKURDNGI-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.14
Rot. Bonds6

About 4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide

4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide (PubChem CID 71691260) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide
PubChem CID71691260
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide
SMILESO=C(NCCCn1cccn1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C18H23N3O2/c22-17(19-10-4-12-21-13-5-11-20-21)18(8-14-23-15-9-18)16-6-2-1-3-7-16/h1-3,5-7,11,13H,4,8-10,12,14-15H2,(H,19,22)
InChIKeyGHDPAKQKURDNGI-UHFFFAOYSA-N
XLogP2.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide (CID 71691260) is 4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide is O=C(NCCCn1cccn1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide?
The InChIKey is GHDPAKQKURDNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17(19-10-4-12-21-13-5-11-20-21)18(8-14-23-15-9-18)16-6-2-1-3-7-16/h1-3,5-7,11,13H,4,8-10,12,14-15H2,(H,19,22).
What are the key properties of 4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide?
4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 71691260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).