[3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone

C15H19N3O2 — CID 138036049

IUPAC[3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone
SMILESCC1CCC(C)(C)N1C(=O)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C15H19N3O2/c1-10-4-6-15(2,3)18(10)14(19)13-8-12(16-17-13)11-5-7-20-9-11/h5,7-10H,4,6H2,1-3H3,(H,16,17)
InChIKeyGYYHLTRTAYSOPM-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.07
Rot. Bonds2

About [3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone

[3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone (PubChem CID 138036049) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone
PubChem CID138036049
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone
SMILESCC1CCC(C)(C)N1C(=O)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C15H19N3O2/c1-10-4-6-15(2,3)18(10)14(19)13-8-12(16-17-13)11-5-7-20-9-11/h5,7-10H,4,6H2,1-3H3,(H,16,17)
InChIKeyGYYHLTRTAYSOPM-UHFFFAOYSA-N
XLogP3.07
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone (CID 138036049) is [3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone is CC1CCC(C)(C)N1C(=O)c1cc(-c2ccoc2)n[nH]1.
What is the InChIKey of [3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone?
The InChIKey is GYYHLTRTAYSOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-4-6-15(2,3)18(10)14(19)13-8-12(16-17-13)11-5-7-20-9-11/h5,7-10H,4,6H2,1-3H3,(H,16,17).
What are the key properties of [3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone?
[3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-3-yl)-1H-pyrazol-5-yl]-(2,2,5-trimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 138036049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).