1-pentylpyrazolidine

C8H18N2 — CID 54247198

IUPAC1-pentylpyrazolidine
SMILESCCCCCN1CCCN1
InChIInChI=1S/C8H18N2/c1-2-3-4-7-10-8-5-6-9-10/h9H,2-8H2,1H3
InChIKeyHQYGOIDOEWJFSY-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.39
Rot. Bonds4

About 1-pentylpyrazolidine

1-pentylpyrazolidine (PubChem CID 54247198) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-pentylpyrazolidine.

Molecular Properties

Compound Name1-pentylpyrazolidine
PubChem CID54247198
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-pentylpyrazolidine
SMILESCCCCCN1CCCN1
InChIInChI=1S/C8H18N2/c1-2-3-4-7-10-8-5-6-9-10/h9H,2-8H2,1H3
InChIKeyHQYGOIDOEWJFSY-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-pentylpyrazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pentylpyrazolidine?
The IUPAC name of 1-pentylpyrazolidine (CID 54247198) is 1-pentylpyrazolidine.
What is the SMILES notation for 1-pentylpyrazolidine?
The canonical SMILES for 1-pentylpyrazolidine is CCCCCN1CCCN1.
What is the InChIKey of 1-pentylpyrazolidine?
The InChIKey is HQYGOIDOEWJFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-3-4-7-10-8-5-6-9-10/h9H,2-8H2,1H3.
What are the key properties of 1-pentylpyrazolidine?
1-pentylpyrazolidine has a molecular weight of 142.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpyrazolidine is sourced from PubChem (CID 54247198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).