2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine

C12H12N4 — CID 121211870

IUPAC2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine
SMILESC#CCn1nc(-c2cnccn2)cc1CC
InChIInChI=1S/C12H12N4/c1-3-7-16-10(4-2)8-11(15-16)12-9-13-5-6-14-12/h1,5-6,8-9H,4,7H2,2H3
InChIKeyRFIZSRQBUGSPMI-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.54
Rot. Bonds3

About 2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine

2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine (PubChem CID 121211870) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine
PubChem CID121211870
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine
SMILESC#CCn1nc(-c2cnccn2)cc1CC
InChIInChI=1S/C12H12N4/c1-3-7-16-10(4-2)8-11(15-16)12-9-13-5-6-14-12/h1,5-6,8-9H,4,7H2,2H3
InChIKeyRFIZSRQBUGSPMI-UHFFFAOYSA-N
XLogP1.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine?
The IUPAC name of 2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine (CID 121211870) is 2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine.
What is the SMILES notation for 2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine?
The canonical SMILES for 2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine is C#CCn1nc(-c2cnccn2)cc1CC.
What is the InChIKey of 2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine?
The InChIKey is RFIZSRQBUGSPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-3-7-16-10(4-2)8-11(15-16)12-9-13-5-6-14-12/h1,5-6,8-9H,4,7H2,2H3.
What are the key properties of 2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine?
2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine has a molecular weight of 212.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine is sourced from PubChem (CID 121211870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).