5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one

C10H12N4O — CID 81042193

IUPAC5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one
SMILESCCCc1cc(=O)n(-c2cnccn2)[nH]1
InChIInChI=1S/C10H12N4O/c1-2-3-8-6-10(15)14(13-8)9-7-11-4-5-12-9/h4-7,13H,2-3H2,1H3
InChIKeyVFEMGHVAXHJKHK-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.91
Rot. Bonds3

About 5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one

5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one (PubChem CID 81042193) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one
PubChem CID81042193
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one
SMILESCCCc1cc(=O)n(-c2cnccn2)[nH]1
InChIInChI=1S/C10H12N4O/c1-2-3-8-6-10(15)14(13-8)9-7-11-4-5-12-9/h4-7,13H,2-3H2,1H3
InChIKeyVFEMGHVAXHJKHK-UHFFFAOYSA-N
XLogP0.91
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one (CID 81042193) is 5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one is CCCc1cc(=O)n(-c2cnccn2)[nH]1.
What is the InChIKey of 5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one?
The InChIKey is VFEMGHVAXHJKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-3-8-6-10(15)14(13-8)9-7-11-4-5-12-9/h4-7,13H,2-3H2,1H3.
What are the key properties of 5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one?
5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-pyrazin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 81042193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).