1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone

C15H25N3O2 — CID 124880260

IUPAC1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone
SMILESCn1nccc1COCC(=O)N1CCC[C@@H]1C(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-15(2,3)13-6-5-9-18(13)14(19)11-20-10-12-7-8-16-17(12)4/h7-8,13H,5-6,9-11H2,1-4H3/t13-/m1/s1
InChIKeyWZQCDYYUSXPUBK-CYBMUJFWSA-N
MW279.38 g/mol
LogP1.97
Rot. Bonds4

About 1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone

1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone (PubChem CID 124880260) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone
PubChem CID124880260
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone
SMILESCn1nccc1COCC(=O)N1CCC[C@@H]1C(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-15(2,3)13-6-5-9-18(13)14(19)11-20-10-12-7-8-16-17(12)4/h7-8,13H,5-6,9-11H2,1-4H3/t13-/m1/s1
InChIKeyWZQCDYYUSXPUBK-CYBMUJFWSA-N
XLogP1.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone?
The IUPAC name of 1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone (CID 124880260) is 1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone.
What is the SMILES notation for 1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone?
The canonical SMILES for 1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone is Cn1nccc1COCC(=O)N1CCC[C@@H]1C(C)(C)C.
What is the InChIKey of 1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone?
The InChIKey is WZQCDYYUSXPUBK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)13-6-5-9-18(13)14(19)11-20-10-12-7-8-16-17(12)4/h7-8,13H,5-6,9-11H2,1-4H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone?
1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone has a molecular weight of 279.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-tert-butylpyrrolidin-1-yl]-2-[(2-methylpyrazol-3-yl)methoxy]ethanone is sourced from PubChem (CID 124880260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).