3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide

C20H24FN3O2 — CID 131636035

IUPAC3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide
SMILESCCOc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1C1CNNC1
InChIInChI=1S/C20H24FN3O2/c1-3-26-19-10-15(6-9-18(19)16-11-22-23-12-16)20(25)24-13(2)14-4-7-17(21)8-5-14/h4-10,13,16,22-23H,3,11-12H2,1-2H3,(H,24,25)/t13-/m1/s1
InChIKeyNYGGDZRIPYVERI-CYBMUJFWSA-N
MW357.43 g/mol
LogP2.91
Rot. Bonds6

About 3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide

3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636035) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide
PubChem CID131636035
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide
SMILESCCOc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1C1CNNC1
InChIInChI=1S/C20H24FN3O2/c1-3-26-19-10-15(6-9-18(19)16-11-22-23-12-16)20(25)24-13(2)14-4-7-17(21)8-5-14/h4-10,13,16,22-23H,3,11-12H2,1-2H3,(H,24,25)/t13-/m1/s1
InChIKeyNYGGDZRIPYVERI-CYBMUJFWSA-N
XLogP2.91
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of 3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide (CID 131636035) is 3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for 3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for 3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide is CCOc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1C1CNNC1.
What is the InChIKey of 3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
The InChIKey is NYGGDZRIPYVERI-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-3-26-19-10-15(6-9-18(19)16-11-22-23-12-16)20(25)24-13(2)14-4-7-17(21)8-5-14/h4-10,13,16,22-23H,3,11-12H2,1-2H3,(H,24,25)/t13-/m1/s1.
What are the key properties of 3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide has a molecular weight of 357.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).