4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide

C16H18N4O — CID 118526497

IUPAC4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide
SMILESN#Cc1cnn(C(=O)NCCCCCc2ccccc2)c1
InChIInChI=1S/C16H18N4O/c17-11-15-12-19-20(13-15)16(21)18-10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,18,21)
InChIKeyFKNPQTDHLJYZTM-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.73
Rot. Bonds6

About 4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide

4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide (PubChem CID 118526497) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide
PubChem CID118526497
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide
SMILESN#Cc1cnn(C(=O)NCCCCCc2ccccc2)c1
InChIInChI=1S/C16H18N4O/c17-11-15-12-19-20(13-15)16(21)18-10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,18,21)
InChIKeyFKNPQTDHLJYZTM-UHFFFAOYSA-N
XLogP2.73
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.73
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-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide?
The IUPAC name of 4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide (CID 118526497) is 4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide is N#Cc1cnn(C(=O)NCCCCCc2ccccc2)c1.
What is the InChIKey of 4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide?
The InChIKey is FKNPQTDHLJYZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-11-15-12-19-20(13-15)16(21)18-10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,18,21).
What are the key properties of 4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide?
4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).