ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate

C15H22N2O2 — CID 134924453

IUPACethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate
SMILESCCOC(=O)N1C(C)C(C)CN1Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-4-19-15(18)17-13(3)12(2)10-16(17)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyXJOOBTSUPFWJJR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.90
Rot. Bonds3

About ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate

ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate (PubChem CID 134924453) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate
PubChem CID134924453
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate
SMILESCCOC(=O)N1C(C)C(C)CN1Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-4-19-15(18)17-13(3)12(2)10-16(17)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyXJOOBTSUPFWJJR-UHFFFAOYSA-N
XLogP2.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.90
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
5-methoxy-3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one
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5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one
CID 72714187
5-Methoxy-3-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one
CID 76317074
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
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-4,5-dimethylpyrazolidine-1-carboxylate?
The IUPAC name of ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate (CID 134924453) is ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate?
The canonical SMILES for ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate is CCOC(=O)N1C(C)C(C)CN1Cc1ccccc1.
What is the InChIKey of ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate?
The InChIKey is XJOOBTSUPFWJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-15(18)17-13(3)12(2)10-16(17)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate?
ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-4,5-dimethylpyrazolidine-1-carboxylate is sourced from PubChem (CID 134924453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).