N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide

C20H24FN3O2 — CID 131636103

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide
SMILESCC(O)c1cc(C(=O)N[C@H](C)c2ccccc2F)ccc1C1CNNC1
InChIInChI=1S/C20H24FN3O2/c1-12(16-5-3-4-6-19(16)21)24-20(26)14-7-8-17(15-10-22-23-11-15)18(9-14)13(2)25/h3-9,12-13,15,22-23,25H,10-11H2,1-2H3,(H,24,26)/t12-,13?/m1/s1
InChIKeyJRYBXZFQKSALAU-PZORYLMUSA-N
MW357.43 g/mol
LogP2.56
Rot. Bonds5

About N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide

N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636103) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide
PubChem CID131636103
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide
SMILESCC(O)c1cc(C(=O)N[C@H](C)c2ccccc2F)ccc1C1CNNC1
InChIInChI=1S/C20H24FN3O2/c1-12(16-5-3-4-6-19(16)21)24-20(26)14-7-8-17(15-10-22-23-11-15)18(9-14)13(2)25/h3-9,12-13,15,22-23,25H,10-11H2,1-2H3,(H,24,26)/t12-,13?/m1/s1
InChIKeyJRYBXZFQKSALAU-PZORYLMUSA-N
XLogP2.56
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide (CID 131636103) is N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide is CC(O)c1cc(C(=O)N[C@H](C)c2ccccc2F)ccc1C1CNNC1.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide?
The InChIKey is JRYBXZFQKSALAU-PZORYLMUSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-12(16-5-3-4-6-19(16)21)24-20(26)14-7-8-17(15-10-22-23-11-15)18(9-14)13(2)25/h3-9,12-13,15,22-23,25H,10-11H2,1-2H3,(H,24,26)/t12-,13?/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide?
N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide has a molecular weight of 357.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(1-hydroxyethyl)-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).