N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide

C20H25FN6O — CID 134127176

IUPACN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCN(CC1CNNC1c1ccc(F)cc1)C(=O)C1CC(c2ccccn2)NN1
InChIInChI=1S/C20H25FN6O/c1-27(12-14-11-23-26-19(14)13-5-7-15(21)8-6-13)20(28)18-10-17(24-25-18)16-4-2-3-9-22-16/h2-9,14,17-19,23-26H,10-12H2,1H3
InChIKeyJBTSZILYBUJJNT-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.05
Rot. Bonds5

About N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide

N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide (PubChem CID 134127176) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide
PubChem CID134127176
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC NameN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCN(CC1CNNC1c1ccc(F)cc1)C(=O)C1CC(c2ccccn2)NN1
InChIInChI=1S/C20H25FN6O/c1-27(12-14-11-23-26-19(14)13-5-7-15(21)8-6-13)20(28)18-10-17(24-25-18)16-4-2-3-9-22-16/h2-9,14,17-19,23-26H,10-12H2,1H3
InChIKeyJBTSZILYBUJJNT-UHFFFAOYSA-N
XLogP1.05
TPSA81.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide
CID 134079824
N-methyl-5-pyridin-2-yl-N-(quinolin-5-ylmethyl)pyrazolidine-3-carboxamide
CID 75261619
N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261448
1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine
CID 75258392
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
CID 134057217
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
N-(4-acetamidophenyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75188084
2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol
CID 75259366
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261568
3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide
CID 52989681
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 134127818
5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide
CID 78086018

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide (CID 134127176) is N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide is CN(CC1CNNC1c1ccc(F)cc1)C(=O)C1CC(c2ccccn2)NN1.
What is the InChIKey of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The InChIKey is JBTSZILYBUJJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-27(12-14-11-23-26-19(14)13-5-7-15(21)8-6-13)20(28)18-10-17(24-25-18)16-4-2-3-9-22-16/h2-9,14,17-19,23-26H,10-12H2,1H3.
What are the key properties of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide?
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 1.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134127176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).