2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone

C17H23N3O2 — CID 136526405

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1ccc(C2CCCN2C(=O)Cn2nc(C)cc2C)o1
InChIInChI=1S/C17H23N3O2/c1-4-14-7-8-16(22-14)15-6-5-9-19(15)17(21)11-20-13(3)10-12(2)18-20/h7-8,10,15H,4-6,9,11H2,1-3H3
InChIKeyWSICPQXODSLKNF-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.02
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 136526405) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID136526405
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1ccc(C2CCCN2C(=O)Cn2nc(C)cc2C)o1
InChIInChI=1S/C17H23N3O2/c1-4-14-7-8-16(22-14)15-6-5-9-19(15)17(21)11-20-13(3)10-12(2)18-20/h7-8,10,15H,4-6,9,11H2,1-3H3
InChIKeyWSICPQXODSLKNF-UHFFFAOYSA-N
XLogP3.02
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922396
1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 124974733
(3aR,7aR)-2-[2-[(2S)-2-(5-ethylfuran-2-yl)azepan-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124730747
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978358
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 75925786
methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 79833334
N-[[4-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107915
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-ethylfuran-2-yl)azepan-1-yl]propan-1-one
CID 56794218
1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
CID 167774935
N-[[6-[(2S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125018598
N-[[6-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107821
1-[(2R)-2-(5-ethylfuran-2-yl)azepan-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95633128

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone (CID 136526405) is 2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone is CCc1ccc(C2CCCN2C(=O)Cn2nc(C)cc2C)o1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is WSICPQXODSLKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-14-7-8-16(22-14)15-6-5-9-19(15)17(21)11-20-13(3)10-12(2)18-20/h7-8,10,15H,4-6,9,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 136526405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).