2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone

C13H21N3O — CID 116580505

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCCc1cc(CC(=O)C2(C)CCCN2)n(C)n1
InChIInChI=1S/C13H21N3O/c1-4-10-8-11(16(3)15-10)9-12(17)13(2)6-5-7-14-13/h8,14H,4-7,9H2,1-3H3
InChIKeyCCEXAQGBWMBCNA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.24
Rot. Bonds4

About 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone (PubChem CID 116580505) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
PubChem CID116580505
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCCc1cc(CC(=O)C2(C)CCCN2)n(C)n1
InChIInChI=1S/C13H21N3O/c1-4-10-8-11(16(3)15-10)9-12(17)13(2)6-5-7-14-13/h8,14H,4-7,9H2,1-3H3
InChIKeyCCEXAQGBWMBCNA-UHFFFAOYSA-N
XLogP1.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone (CID 116580505) is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone is CCc1cc(CC(=O)C2(C)CCCN2)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The InChIKey is CCEXAQGBWMBCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-10-8-11(16(3)15-10)9-12(17)13(2)6-5-7-14-13/h8,14H,4-7,9H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116580505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).