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

C16H27N3O3 — CID 103004168

IUPACtert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate
SMILESCn1nccc1CCOC1(C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O3/c1-15(2,3)22-14(20)19-10-8-16(4,12-19)21-11-7-13-6-9-17-18(13)5/h6,9H,7-8,10-12H2,1-5H3
InChIKeyZUIWMCJWUZKTEK-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.38
Rot. Bonds4

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

tert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate (PubChem CID 103004168) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate
PubChem CID103004168
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate
SMILESCn1nccc1CCOC1(C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O3/c1-15(2,3)22-14(20)19-10-8-16(4,12-19)21-11-7-13-6-9-17-18(13)5/h6,9H,7-8,10-12H2,1-5H3
InChIKeyZUIWMCJWUZKTEK-UHFFFAOYSA-N
XLogP2.38
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 99798819
CID 99798819
CID 59135059
CID 59135059
CID 68313115
CID 68313115
CID 126506229
CID 126506229
CID 134554099
CID 134554099
CID 137534831
CID 137534831
CID 142535542
CID 142535542
CID 146477531
CID 146477531
CID 148649807
CID 148649807
CID 157927096
CID 157927096
CID 167310460
CID 167310460
CID 168806631
CID 168806631

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate (CID 103004168) is tert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate is Cn1nccc1CCOC1(C)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate?
The InChIKey is ZUIWMCJWUZKTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-15(2,3)22-14(20)19-10-8-16(4,12-19)21-11-7-13-6-9-17-18(13)5/h6,9H,7-8,10-12H2,1-5H3.
What are the key properties of tert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate?
tert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103004168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).