tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate

C17H29N3O3 — CID 103004164

IUPACtert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate
SMILESCCC1(OCCc2ccnn2C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H29N3O3/c1-6-17(22-12-8-14-7-10-18-19(14)5)9-11-20(13-17)15(21)23-16(2,3)4/h7,10H,6,8-9,11-13H2,1-5H3
InChIKeyIQHYKZIOTUTSGN-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.77
Rot. Bonds5

About tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate

tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate (PubChem CID 103004164) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate
PubChem CID103004164
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nametert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate
SMILESCCC1(OCCc2ccnn2C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H29N3O3/c1-6-17(22-12-8-14-7-10-18-19(14)5)9-11-20(13-17)15(21)23-16(2,3)4/h7,10H,6,8-9,11-13H2,1-5H3
InChIKeyIQHYKZIOTUTSGN-UHFFFAOYSA-N
XLogP2.77
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 177736361
tert-Butyl 3-(1-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
CID 68313115
Tert-butyl 4-[5-methyl-2-(oxolan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 123283515
Tert-butyl 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 126506229
Tert-butyl 5-hydroxyspiro[5,6-dihydropyrrolo[1,2-b]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 146477531
Tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807
5-Tert-butyl-1-(2,2-dimethyloxolan-3-yl)pyrazole
CID 169032817
Tert-butyl 4-[2-(oxetan-3-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 171506433
Sodium;ethyl 3-propylpyrrolidine-1-carboxylate;1-methyl-5-pentan-3-ylpyrazole
CID 172245192
Tert-butyl 2-[3-(2-acetyloxyethyl)pyrazol-1-yl]acetate
CID 175150701
1-(Oxolan-2-ylmethyl)-5-propan-2-ylpyrazole
CID 176980844
tert-butyl (2S,5R)-2-(2-hydroxypropan-2-yloxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 177364924

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate (CID 103004164) is tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate is CCC1(OCCc2ccnn2C)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate?
The InChIKey is IQHYKZIOTUTSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-6-17(22-12-8-14-7-10-18-19(14)5)9-11-20(13-17)15(21)23-16(2,3)4/h7,10H,6,8-9,11-13H2,1-5H3.
What are the key properties of tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate?
tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103004164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).