N-(4-phenylbutyl)pyrazole-1-carboxamide

C14H17N3O — CID 118526772

IUPACN-(4-phenylbutyl)pyrazole-1-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cccn1
InChIInChI=1S/C14H17N3O/c18-14(17-12-6-11-16-17)15-10-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,11-12H,4-5,9-10H2,(H,15,18)
InChIKeyUJHDXVGWUYNVSD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.46
Rot. Bonds5

About N-(4-phenylbutyl)pyrazole-1-carboxamide

N-(4-phenylbutyl)pyrazole-1-carboxamide (PubChem CID 118526772) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(4-phenylbutyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)pyrazole-1-carboxamide
PubChem CID118526772
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(4-phenylbutyl)pyrazole-1-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cccn1
InChIInChI=1S/C14H17N3O/c18-14(17-12-6-11-16-17)15-10-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,11-12H,4-5,9-10H2,(H,15,18)
InChIKeyUJHDXVGWUYNVSD-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.46
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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Related Compounds

N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
(4-Benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
CID 118526402
4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526497
4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526618
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
4-cyano-N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526846
4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526906
N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526911
4-cyano-N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526979
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
4-methyl-N-(2-phenylethyl)-1H-pyrazole-1-carbothioamide
CID 978115
N-(2-phenylcyclopropyl)-4-(1H-pyrazol-1-yl)piperidine-1-carboxamide
CID 45273373

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)pyrazole-1-carboxamide?
The IUPAC name of N-(4-phenylbutyl)pyrazole-1-carboxamide (CID 118526772) is N-(4-phenylbutyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-phenylbutyl)pyrazole-1-carboxamide?
The canonical SMILES for N-(4-phenylbutyl)pyrazole-1-carboxamide is O=C(NCCCCc1ccccc1)n1cccn1.
What is the InChIKey of N-(4-phenylbutyl)pyrazole-1-carboxamide?
The InChIKey is UJHDXVGWUYNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(17-12-6-11-16-17)15-10-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,11-12H,4-5,9-10H2,(H,15,18).
What are the key properties of N-(4-phenylbutyl)pyrazole-1-carboxamide?
N-(4-phenylbutyl)pyrazole-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).