5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide

C19H23FN4O2 — CID 74790504

IUPAC5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide
SMILESCCC(NC(=O)C1CC(COc2ccccc2F)NN1)c1ccncc1
InChIInChI=1S/C19H23FN4O2/c1-2-16(13-7-9-21-10-8-13)22-19(25)17-11-14(23-24-17)12-26-18-6-4-3-5-15(18)20/h3-10,14,16-17,23-24H,2,11-12H2,1H3,(H,22,25)
InChIKeyUGIKONXLMCPTLM-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.10
Rot. Bonds7

About 5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide

5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide (PubChem CID 74790504) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide
PubChem CID74790504
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide
SMILESCCC(NC(=O)C1CC(COc2ccccc2F)NN1)c1ccncc1
InChIInChI=1S/C19H23FN4O2/c1-2-16(13-7-9-21-10-8-13)22-19(25)17-11-14(23-24-17)12-26-18-6-4-3-5-15(18)20/h3-10,14,16-17,23-24H,2,11-12H2,1H3,(H,22,25)
InChIKeyUGIKONXLMCPTLM-UHFFFAOYSA-N
XLogP2.10
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide (CID 74790504) is 5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide is CCC(NC(=O)C1CC(COc2ccccc2F)NN1)c1ccncc1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide?
The InChIKey is UGIKONXLMCPTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-2-16(13-7-9-21-10-8-13)22-19(25)17-11-14(23-24-17)12-26-18-6-4-3-5-15(18)20/h3-10,14,16-17,23-24H,2,11-12H2,1H3,(H,22,25).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 74790504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).