(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate

C13H19N3O2 — CID 12650344

IUPAC(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate
SMILESCN1CCC(COC(=O)Nc2ccccc2)N1C
InChIInChI=1S/C13H19N3O2/c1-15-9-8-12(16(15)2)10-18-13(17)14-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,14,17)
InChIKeyMWAWFAUYBBLXFD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.79
Rot. Bonds3

About (1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate

(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate (PubChem CID 12650344) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate.

Molecular Properties

Compound Name(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate
PubChem CID12650344
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate
SMILESCN1CCC(COC(=O)Nc2ccccc2)N1C
InChIInChI=1S/C13H19N3O2/c1-15-9-8-12(16(15)2)10-18-13(17)14-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,14,17)
InChIKeyMWAWFAUYBBLXFD-UHFFFAOYSA-N
XLogP1.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-(4-phenoxyphenyl)carbamate
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[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
CID 98115390
2-thiomorpholin-4-ylethyl N-phenylcarbamate
CID 102093124
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-phenylcarbamate
CID 162665269
[4-amino-3-(phenylcarbamoyloxymethyl)cyclohexyl]-tert-butylcarbamic acid
CID 69286015
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-phenylcarbamate
CID 11871214
[(2R,4S,5R)-5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate
CID 40780112
[(2R,4S,5S)-5-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate
CID 163080219
piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate?
The IUPAC name of (1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate (CID 12650344) is (1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate.
What is the SMILES notation for (1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate?
The canonical SMILES for (1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate is CN1CCC(COC(=O)Nc2ccccc2)N1C.
What is the InChIKey of (1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate?
The InChIKey is MWAWFAUYBBLXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-9-8-12(16(15)2)10-18-13(17)14-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,14,17).
What are the key properties of (1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate?
(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate has a molecular weight of 249.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate is sourced from PubChem (CID 12650344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).