2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone

C13H21N3O — CID 116547487

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
SMILESCCc1cc(CC(=O)C2CCCN2)n(CC)n1
InChIInChI=1S/C13H21N3O/c1-3-10-8-11(16(4-2)15-10)9-13(17)12-6-5-7-14-12/h8,12,14H,3-7,9H2,1-2H3
InChIKeyPIWHYNATNPEMNF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.33
Rot. Bonds5

About 2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone

2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone (PubChem CID 116547487) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
PubChem CID116547487
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
SMILESCCc1cc(CC(=O)C2CCCN2)n(CC)n1
InChIInChI=1S/C13H21N3O/c1-3-10-8-11(16(4-2)15-10)9-13(17)12-6-5-7-14-12/h8,12,14H,3-7,9H2,1-2H3
InChIKeyPIWHYNATNPEMNF-UHFFFAOYSA-N
XLogP1.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571150
2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609657
1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 116582605
2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580582
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008075
2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
CID 116548028
3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
CID 102819892
2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115778740
2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid
CID 83147790
4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116559398
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone (CID 116547487) is 2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone is CCc1cc(CC(=O)C2CCCN2)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone?
The InChIKey is PIWHYNATNPEMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10-8-11(16(4-2)15-10)9-13(17)12-6-5-7-14-12/h8,12,14H,3-7,9H2,1-2H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone?
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone has a molecular weight of 235.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone is sourced from PubChem (CID 116547487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).