N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide

C11H17N3O — CID 2970252

IUPACN-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide
SMILESO=C(NCCCn1cccn1)C1CCC1
InChIInChI=1S/C11H17N3O/c15-11(10-4-1-5-10)12-6-2-8-14-9-3-7-13-14/h3,7,9-10H,1-2,4-6,8H2,(H,12,15)
InChIKeyQSKDBYWSEJIHSD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.19
Rot. Bonds5

About N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide

N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide (PubChem CID 2970252) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide
PubChem CID2970252
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide
SMILESO=C(NCCCn1cccn1)C1CCC1
InChIInChI=1S/C11H17N3O/c15-11(10-4-1-5-10)12-6-2-8-14-9-3-7-13-14/h3,7,9-10H,1-2,4-6,8H2,(H,12,15)
InChIKeyQSKDBYWSEJIHSD-UHFFFAOYSA-N
XLogP1.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.19
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-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide (CID 2970252) is N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide is O=C(NCCCn1cccn1)C1CCC1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide?
The InChIKey is QSKDBYWSEJIHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11(10-4-1-5-10)12-6-2-8-14-9-3-7-13-14/h3,7,9-10H,1-2,4-6,8H2,(H,12,15).
What are the key properties of N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide?
N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)cyclobutanecarboxamide is sourced from PubChem (CID 2970252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).