ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate

C14H20N2O2 — CID 134986214

IUPACethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate
SMILESCCOC(=O)N1C(C)CCN1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)16-12(2)9-10-15(16)11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyPNDHAXFZPVCBMV-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.65
Rot. Bonds3

About ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate

ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate (PubChem CID 134986214) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate
PubChem CID134986214
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate
SMILESCCOC(=O)N1C(C)CCN1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)16-12(2)9-10-15(16)11-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyPNDHAXFZPVCBMV-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Encyprate
CID 17298
3-(Dimethylamino)butyl benzyl(methyl)carbamate
CID 44570008
1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester
CID 3079077
N-benzyl(tert-butoxy)carbohydrazide
CID 10799067
5-Methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one
CID 13488172
Bicarbamic acid, 2-(alpha-methylbenzyl)-, 1-methyl 4-ethyl ester
CID 50417
(R)-N-Boc-2-phenylpyrrolidine
CID 24859471
tert-Butyl (2S,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 97749319
(R)-3-(4-((cyclohexyl(methyl)amino)methyl)benzyl)-5-methyloxazolidin-2-one
CID 44591685
3-Benzyl-5-methoxy-1,3,4-oxadiazol-2-one
CID 72710930
3-[1-[(4-Fluorophenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134789424
tert-butyl (2S)-2-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 11097458

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate?
The IUPAC name of ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate (CID 134986214) is ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate?
The canonical SMILES for ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate is CCOC(=O)N1C(C)CCN1Cc1ccccc1.
What is the InChIKey of ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate?
The InChIKey is PNDHAXFZPVCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-14(17)16-12(2)9-10-15(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-5-methylpyrazolidine-1-carboxylate?
ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-5-methylpyrazolidine-1-carboxylate is sourced from PubChem (CID 134986214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).