[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone

C13H15N3O3 — CID 79030798

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2cccn2)o1)N1CC[C@H](O)C1
InChIInChI=1S/C13H15N3O3/c17-10-4-7-15(8-10)13(18)12-3-2-11(19-12)9-16-6-1-5-14-16/h1-3,5-6,10,17H,4,7-9H2/t10-/m0/s1
InChIKeyABDGYQXRLGFQPL-JTQLQIEISA-N
MW261.28 g/mol
LogP0.73
Rot. Bonds3

About [(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone (PubChem CID 79030798) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
PubChem CID79030798
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2cccn2)o1)N1CC[C@H](O)C1
InChIInChI=1S/C13H15N3O3/c17-10-4-7-15(8-10)13(18)12-3-2-11(19-12)9-16-6-1-5-14-16/h1-3,5-6,10,17H,4,7-9H2/t10-/m0/s1
InChIKeyABDGYQXRLGFQPL-JTQLQIEISA-N
XLogP0.73
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone (CID 79030798) is [(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone is O=C(c1ccc(Cn2cccn2)o1)N1CC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone?
The InChIKey is ABDGYQXRLGFQPL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3O3/c17-10-4-7-15(8-10)13(18)12-3-2-11(19-12)9-16-6-1-5-14-16/h1-3,5-6,10,17H,4,7-9H2/t10-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone has a molecular weight of 261.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 79030798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).