5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one

C10H12N4O — CID 112731800

IUPAC5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one
SMILESCCCC1=NN(c2cnccn2)C(=O)C1
InChIInChI=1S/C10H12N4O/c1-2-3-8-6-10(15)14(13-8)9-7-11-4-5-12-9/h4-5,7H,2-3,6H2,1H3
InChIKeyIZIFUJGXZXKZPF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.37
Rot. Bonds3

About 5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one

5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one (PubChem CID 112731800) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one
PubChem CID112731800
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one
SMILESCCCC1=NN(c2cnccn2)C(=O)C1
InChIInChI=1S/C10H12N4O/c1-2-3-8-6-10(15)14(13-8)9-7-11-4-5-12-9/h4-5,7H,2-3,6H2,1H3
InChIKeyIZIFUJGXZXKZPF-UHFFFAOYSA-N
XLogP1.37
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one (CID 112731800) is 5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one is CCCC1=NN(c2cnccn2)C(=O)C1.
What is the InChIKey of 5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one?
The InChIKey is IZIFUJGXZXKZPF-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/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one?
5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-pyrazin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 112731800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).