2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine

C12H15FN4 — CID 155329736

IUPAC2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine
SMILESCC(C)C(C)c1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C12H15FN4/c1-8(2)9(3)11-5-15-12(6-14-11)17-7-10(13)4-16-17/h4-9H,1-3H3
InChIKeyKPPXVUNHPHTZRB-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine

2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine (PubChem CID 155329736) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine.

Molecular Properties

Compound Name2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine
PubChem CID155329736
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine
SMILESCC(C)C(C)c1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C12H15FN4/c1-8(2)9(3)11-5-15-12(6-14-11)17-7-10(13)4-16-17/h4-9H,1-3H3
InChIKeyKPPXVUNHPHTZRB-UHFFFAOYSA-N
XLogP2.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine?
The IUPAC name of 2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine (CID 155329736) is 2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine.
What is the SMILES notation for 2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine?
The canonical SMILES for 2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine is CC(C)C(C)c1cnc(-n2cc(F)cn2)cn1.
What is the InChIKey of 2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine?
The InChIKey is KPPXVUNHPHTZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-8(2)9(3)11-5-15-12(6-14-11)17-7-10(13)4-16-17/h4-9H,1-3H3.
What are the key properties of 2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine?
2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine has a molecular weight of 234.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine is sourced from PubChem (CID 155329736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).