2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine

C9H7FN4 — CID 130436170

IUPAC2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine
SMILESC=Cc1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C9H7FN4/c1-2-8-4-12-9(5-11-8)14-6-7(10)3-13-14/h2-6H,1H2
InChIKeyKNJBUFVRNALGCN-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.44
Rot. Bonds2

About 2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine

2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine (PubChem CID 130436170) has the molecular formula C9H7FN4 and a molecular weight of 190.18 g/mol. Its IUPAC name is 2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine
PubChem CID130436170
Molecular FormulaC9H7FN4
Molecular Weight190.18 g/mol
Exact Mass190.07
IUPAC Name2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine
SMILESC=Cc1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C9H7FN4/c1-2-8-4-12-9(5-11-8)14-6-7(10)3-13-14/h2-6H,1H2
InChIKeyKNJBUFVRNALGCN-UHFFFAOYSA-N
XLogP1.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine?
The IUPAC name of 2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine (CID 130436170) is 2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine?
The canonical SMILES for 2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine is C=Cc1cnc(-n2cc(F)cn2)cn1.
What is the InChIKey of 2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine?
The InChIKey is KNJBUFVRNALGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4/c1-2-8-4-12-9(5-11-8)14-6-7(10)3-13-14/h2-6H,1H2.
What are the key properties of 2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine?
2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine has a molecular weight of 190.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(4-fluoropyrazol-1-yl)pyrazine is sourced from PubChem (CID 130436170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).