1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C13H15N5O — CID 124994513

IUPAC1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1cnc(-c2ccn[nH]2)cn1
InChIInChI=1S/C13H15N5O/c1-9(19)18-6-2-3-13(18)12-8-14-11(7-15-12)10-4-5-16-17-10/h4-5,7-8,13H,2-3,6H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyQFDYJOCVHPJRDJ-ZDUSSCGKSA-N
MW257.30 g/mol
LogP1.55
Rot. Bonds2

About 1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 124994513) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID124994513
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1cnc(-c2ccn[nH]2)cn1
InChIInChI=1S/C13H15N5O/c1-9(19)18-6-2-3-13(18)12-8-14-11(7-15-12)10-4-5-16-17-10/h4-5,7-8,13H,2-3,6H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyQFDYJOCVHPJRDJ-ZDUSSCGKSA-N
XLogP1.55
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 124994513) is 1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1c1cnc(-c2ccn[nH]2)cn1.
What is the InChIKey of 1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is QFDYJOCVHPJRDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9(19)18-6-2-3-13(18)12-8-14-11(7-15-12)10-4-5-16-17-10/h4-5,7-8,13H,2-3,6H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 257.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124994513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).