methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate

C11H18N2O2 — CID 107427779

IUPACmethyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
SMILESCCc1cc(CC)n([C@@H](C)C(=O)OC)n1
InChIInChI=1S/C11H18N2O2/c1-5-9-7-10(6-2)13(12-9)8(3)11(14)15-4/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyUNQYUABTXXSXEM-QMMMGPOBSA-N
MW210.28 g/mol
LogP1.74
Rot. Bonds4

About methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate

methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate (PubChem CID 107427779) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
PubChem CID107427779
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
SMILESCCc1cc(CC)n([C@@H](C)C(=O)OC)n1
InChIInChI=1S/C11H18N2O2/c1-5-9-7-10(6-2)13(12-9)8(3)11(14)15-4/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyUNQYUABTXXSXEM-QMMMGPOBSA-N
XLogP1.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate?
The IUPAC name of methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate (CID 107427779) is methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate?
The canonical SMILES for methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate is CCc1cc(CC)n([C@@H](C)C(=O)OC)n1.
What is the InChIKey of methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate?
The InChIKey is UNQYUABTXXSXEM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-9-7-10(6-2)13(12-9)8(3)11(14)15-4/h7-8H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate?
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 107427779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).