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

C15H19N3O — CID 118526911

IUPACN-(5-phenylpentyl)pyrazole-1-carboxamide
SMILESO=C(NCCCCCc1ccccc1)n1cccn1
InChIInChI=1S/C15H19N3O/c19-15(18-13-7-12-17-18)16-11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H,16,19)
InChIKeyCLDBYFZEIMPYTR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.85
Rot. Bonds6

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

N-(5-phenylpentyl)pyrazole-1-carboxamide (PubChem CID 118526911) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(5-phenylpentyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(5-phenylpentyl)pyrazole-1-carboxamide
PubChem CID118526911
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(5-phenylpentyl)pyrazole-1-carboxamide
SMILESO=C(NCCCCCc1ccccc1)n1cccn1
InChIInChI=1S/C15H19N3O/c19-15(18-13-7-12-17-18)16-11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H,16,19)
InChIKeyCLDBYFZEIMPYTR-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(5-phenylpentyl)pyrazole-1-carboxamide?
The IUPAC name of N-(5-phenylpentyl)pyrazole-1-carboxamide (CID 118526911) is N-(5-phenylpentyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(5-phenylpentyl)pyrazole-1-carboxamide?
The canonical SMILES for N-(5-phenylpentyl)pyrazole-1-carboxamide is O=C(NCCCCCc1ccccc1)n1cccn1.
What is the InChIKey of N-(5-phenylpentyl)pyrazole-1-carboxamide?
The InChIKey is CLDBYFZEIMPYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15(18-13-7-12-17-18)16-11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H,16,19).
What are the key properties of N-(5-phenylpentyl)pyrazole-1-carboxamide?
N-(5-phenylpentyl)pyrazole-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylpentyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).