N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide

C17H27N3O2 — CID 74537316

IUPACN-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide
SMILESCCCCOCCCNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C17H27N3O2/c1-2-3-11-22-12-7-10-18-17(21)16-13-15(19-20-16)14-8-5-4-6-9-14/h4-6,8-9,15-16,19-20H,2-3,7,10-13H2,1H3,(H,18,21)
InChIKeyWUDRTEBQHWEREM-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.92
Rot. Bonds9

About N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide

N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 74537316) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID74537316
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide
SMILESCCCCOCCCNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C17H27N3O2/c1-2-3-11-22-12-7-10-18-17(21)16-13-15(19-20-16)14-8-5-4-6-9-14/h4-6,8-9,15-16,19-20H,2-3,7,10-13H2,1H3,(H,18,21)
InChIKeyWUDRTEBQHWEREM-UHFFFAOYSA-N
XLogP1.92
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.92
H-Bond Donors ≤ 53
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 N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide (CID 74537316) is N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide is CCCCOCCCNC(=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is WUDRTEBQHWEREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-3-11-22-12-7-10-18-17(21)16-13-15(19-20-16)14-8-5-4-6-9-14/h4-6,8-9,15-16,19-20H,2-3,7,10-13H2,1H3,(H,18,21).
What are the key properties of N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide?
N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 74537316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).