2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C12H9BrF3N5 — CID 170973357

IUPAC2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCn1cc(Cc2cn3cc(C(F)(F)F)ncc3n2)c(Br)n1
InChIInChI=1S/C12H9BrF3N5/c1-20-4-7(11(13)19-20)2-8-5-21-6-9(12(14,15)16)17-3-10(21)18-8/h3-6H,2H2,1H3
InChIKeyUGCVPXIFOWLBIP-UHFFFAOYSA-N
MW360.14 g/mol
LogP2.83
Rot. Bonds2

About 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 170973357) has the molecular formula C12H9BrF3N5 and a molecular weight of 360.14 g/mol. Its IUPAC name is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID170973357
Molecular FormulaC12H9BrF3N5
Molecular Weight360.14 g/mol
Exact Mass359.00
IUPAC Name2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCn1cc(Cc2cn3cc(C(F)(F)F)ncc3n2)c(Br)n1
InChIInChI=1S/C12H9BrF3N5/c1-20-4-7(11(13)19-20)2-8-5-21-6-9(12(14,15)16)17-3-10(21)18-8/h3-6H,2H2,1H3
InChIKeyUGCVPXIFOWLBIP-UHFFFAOYSA-N
XLogP2.83
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.14
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 170973357) is 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is Cn1cc(Cc2cn3cc(C(F)(F)F)ncc3n2)c(Br)n1.
What is the InChIKey of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is UGCVPXIFOWLBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N5/c1-20-4-7(11(13)19-20)2-8-5-21-6-9(12(14,15)16)17-3-10(21)18-8/h3-6H,2H2,1H3.
What are the key properties of 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 360.14 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 170973357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).