benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate

C21H24FN3O3 — CID 20724749

IUPACbenzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate
SMILESCN(C)C1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H24FN3O3/c1-23(2)19-13-24(20(26)12-16-8-10-18(22)11-9-16)25(14-19)21(27)28-15-17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3
InChIKeyIGIDKOAZDRYLKI-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.69
Rot. Bonds5

About benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate

benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate (PubChem CID 20724749) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate
PubChem CID20724749
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Namebenzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate
SMILESCN(C)C1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H24FN3O3/c1-23(2)19-13-24(20(26)12-16-8-10-18(22)11-9-16)25(14-19)21(27)28-15-17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3
InChIKeyIGIDKOAZDRYLKI-UHFFFAOYSA-N
XLogP2.69
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate?
The IUPAC name of benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate (CID 20724749) is benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate?
The canonical SMILES for benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate is CN(C)C1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate?
The InChIKey is IGIDKOAZDRYLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-23(2)19-13-24(20(26)12-16-8-10-18(22)11-9-16)25(14-19)21(27)28-15-17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3.
What are the key properties of benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate?
benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(dimethylamino)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate is sourced from PubChem (CID 20724749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).