ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate

C14H20N2O2 — CID 134924452

IUPACethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate
SMILESCCOC(=O)N1CC(C)CN1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)16-10-12(2)9-15(16)11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyDYKIDVRBZNQFRB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.51
Rot. Bonds3

About ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate

ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate (PubChem CID 134924452) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate
PubChem CID134924452
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate
SMILESCCOC(=O)N1CC(C)CN1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)16-10-12(2)9-15(16)11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyDYKIDVRBZNQFRB-UHFFFAOYSA-N
XLogP2.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Encyprate
CID 17298
3-(Dimethylamino)butyl benzyl(methyl)carbamate
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5-Methoxy-3-[[4-(2-methylpropyl)phenyl]methyl]-1,3,4-oxadiazol-2-one
CID 72710931
N-benzyl(tert-butoxy)carbohydrazide
CID 10799067
Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate
CID 57836
(R)-N-Boc-2-phenylpyrrolidine
CID 24859471
3-Benzyl-5-methoxy-1,3,4-oxadiazol-2-one
CID 72710930
(1-benzylpiperidin-4-yl)methyl N-ethyl-N-methylcarbamate
CID 162677004
Ethyl dibenzylcarbamate
CID 234958
3-(1-Benzyl-piperidin-4-yl)-oxazolidin-2-one
CID 13060626
Tert-butyl 2-phenylpyrrolidine-1-carboxylate
CID 3772557
3-Benzyl-1,3-oxazolidin-2-one
CID 10487528

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate?
The IUPAC name of ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate (CID 134924452) is ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate?
The canonical SMILES for ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate is CCOC(=O)N1CC(C)CN1Cc1ccccc1.
What is the InChIKey of ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate?
The InChIKey is DYKIDVRBZNQFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-14(17)16-10-12(2)9-15(16)11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3.
What are the key properties of ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate?
ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-4-methylpyrazolidine-1-carboxylate is sourced from PubChem (CID 134924452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).