2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine

C19H20N4 — CID 29257494

IUPAC2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine
SMILESC=C(C)Cn1ccc(-c2cccc(-c3nc(C)cnc3C)c2)n1
InChIInChI=1S/C19H20N4/c1-13(2)12-23-9-8-18(22-23)16-6-5-7-17(10-16)19-15(4)20-11-14(3)21-19/h5-11H,1,12H2,2-4H3
InChIKeySSDWAEZEFLEDAB-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.20
Rot. Bonds4

About 2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine

2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine (PubChem CID 29257494) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine
PubChem CID29257494
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine
SMILESC=C(C)Cn1ccc(-c2cccc(-c3nc(C)cnc3C)c2)n1
InChIInChI=1S/C19H20N4/c1-13(2)12-23-9-8-18(22-23)16-6-5-7-17(10-16)19-15(4)20-11-14(3)21-19/h5-11H,1,12H2,2-4H3
InChIKeySSDWAEZEFLEDAB-UHFFFAOYSA-N
XLogP4.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine (CID 29257494) is 2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine is C=C(C)Cn1ccc(-c2cccc(-c3nc(C)cnc3C)c2)n1.
What is the InChIKey of 2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine?
The InChIKey is SSDWAEZEFLEDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-13(2)12-23-9-8-18(22-23)16-6-5-7-17(10-16)19-15(4)20-11-14(3)21-19/h5-11H,1,12H2,2-4H3.
What are the key properties of 2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine?
2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine has a molecular weight of 304.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine is sourced from PubChem (CID 29257494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).