2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone

C14H23N3O — CID 116580582

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCCc1cc(CC(=O)C2(C)CCCN2)n(CC)n1
InChIInChI=1S/C14H23N3O/c1-4-11-9-12(17(5-2)16-11)10-13(18)14(3)7-6-8-15-14/h9,15H,4-8,10H2,1-3H3
InChIKeyFLUPVRXJGDJJIM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds5

About 2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone

2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone (PubChem CID 116580582) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
PubChem CID116580582
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCCc1cc(CC(=O)C2(C)CCCN2)n(CC)n1
InChIInChI=1S/C14H23N3O/c1-4-11-9-12(17(5-2)16-11)10-13(18)14(3)7-6-8-15-14/h9,15H,4-8,10H2,1-3H3
InChIKeyFLUPVRXJGDJJIM-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580505
1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465543
1-[1-(aminomethyl)cyclohexyl]-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 116600727
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580542
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-ethylazepane
CID 79117007
2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580447
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
(2-ethyl-1,2,4-triazol-3-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 130530173
1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
CID 106797283
3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465542
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1,3-diethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]pyrazole
CID 112564455

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone (CID 116580582) is 2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone is CCc1cc(CC(=O)C2(C)CCCN2)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The InChIKey is FLUPVRXJGDJJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-11-9-12(17(5-2)16-11)10-13(18)14(3)7-6-8-15-14/h9,15H,4-8,10H2,1-3H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone has a molecular weight of 249.36 g/mol, XLogP of 1.72, 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-(2-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116580582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).