N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide

C18H21FN4O — CID 75261448

IUPACN-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)C1CC(c2ccccn2)NN1
InChIInChI=1S/C18H21FN4O/c19-14-8-6-13(7-9-14)4-3-11-21-18(24)17-12-16(22-23-17)15-5-1-2-10-20-15/h1-2,5-10,16-17,22-23H,3-4,11-12H2,(H,21,24)
InChIKeyPXESILRZFPQDTA-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.88
Rot. Bonds6

About N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide

N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide (PubChem CID 75261448) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
PubChem CID75261448
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)C1CC(c2ccccn2)NN1
InChIInChI=1S/C18H21FN4O/c19-14-8-6-13(7-9-14)4-3-11-21-18(24)17-12-16(22-23-17)15-5-1-2-10-20-15/h1-2,5-10,16-17,22-23H,3-4,11-12H2,(H,21,24)
InChIKeyPXESILRZFPQDTA-UHFFFAOYSA-N
XLogP1.88
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.88
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

N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134126384
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261568
5-phenyl-N-(4-pyridin-4-ylbutyl)pyrazolidine-3-carboxamide
CID 76532392
N-(4-acetamidophenyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75188084
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 73305956
N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551296
4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 126622634
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazolidine-3-carboxamide
CID 85499054
N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261513
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134127176
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 30391483

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide (CID 75261448) is N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide is O=C(NCCCc1ccc(F)cc1)C1CC(c2ccccn2)NN1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The InChIKey is PXESILRZFPQDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-14-8-6-13(7-9-14)4-3-11-21-18(24)17-12-16(22-23-17)15-5-1-2-10-20-15/h1-2,5-10,16-17,22-23H,3-4,11-12H2,(H,21,24).
What are the key properties of N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75261448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).