2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine

C11H13ClN4 — CID 81041779

IUPAC2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine
SMILESCC(C)(C)c1cc(Cl)n(-c2cnccn2)n1
InChIInChI=1S/C11H13ClN4/c1-11(2,3)8-6-9(12)16(15-8)10-7-13-4-5-14-10/h4-7H,1-3H3
InChIKeyLFCXAVYQVOPAJF-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.61
Rot. Bonds1

About 2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine

2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine (PubChem CID 81041779) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine
PubChem CID81041779
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine
SMILESCC(C)(C)c1cc(Cl)n(-c2cnccn2)n1
InChIInChI=1S/C11H13ClN4/c1-11(2,3)8-6-9(12)16(15-8)10-7-13-4-5-14-10/h4-7H,1-3H3
InChIKeyLFCXAVYQVOPAJF-UHFFFAOYSA-N
XLogP2.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine?
The IUPAC name of 2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine (CID 81041779) is 2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine?
The canonical SMILES for 2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine is CC(C)(C)c1cc(Cl)n(-c2cnccn2)n1.
What is the InChIKey of 2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine?
The InChIKey is LFCXAVYQVOPAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-11(2,3)8-6-9(12)16(15-8)10-7-13-4-5-14-10/h4-7H,1-3H3.
What are the key properties of 2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine?
2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine has a molecular weight of 236.71 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-chloropyrazol-1-yl)pyrazine is sourced from PubChem (CID 81041779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).