5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide

C19H24N4O — CID 76532392

IUPAC5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide
SMILESO=C(NCCCCc1ccncc1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C19H24N4O/c24-19(21-11-5-4-6-15-9-12-20-13-10-15)18-14-17(22-23-18)16-7-2-1-3-8-16/h1-3,7-10,12-13,17-18,22-23H,4-6,11,14H2,(H,21,24)
InChIKeyMPZIEFQYOMPLHM-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.13
Rot. Bonds7

About 5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide

5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide (PubChem CID 76532392) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide
PubChem CID76532392
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide
SMILESO=C(NCCCCc1ccncc1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C19H24N4O/c24-19(21-11-5-4-6-15-9-12-20-13-10-15)18-14-17(22-23-18)16-7-2-1-3-8-16/h1-3,7-10,12-13,17-18,22-23H,4-6,11,14H2,(H,21,24)
InChIKeyMPZIEFQYOMPLHM-UHFFFAOYSA-N
XLogP2.13
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.13
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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Related Compounds

5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide
CID 75272192
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide
CID 74537316
N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261448
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide
CID 75196091
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52975622
N-(2-morpholin-4-ylethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74653698
5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide
CID 134077005
N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide
CID 78640428
N-(4-phenylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carboxamide
CID 73393405
(3S,5S)-5-(4-phenylbutylcarbamoyl)pyrrolidine-3-sulfonic acid
CID 162205045
5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986476

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide (CID 76532392) is 5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide is O=C(NCCCCc1ccncc1)C1CC(c2ccccc2)NN1.
What is the InChIKey of 5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide?
The InChIKey is MPZIEFQYOMPLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(21-11-5-4-6-15-9-12-20-13-10-15)18-14-17(22-23-18)16-7-2-1-3-8-16/h1-3,7-10,12-13,17-18,22-23H,4-6,11,14H2,(H,21,24).
What are the key properties of 5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide?
5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 76532392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).