3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide

C11H10BrF3N6O — CID 87379832

IUPAC3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2nc(Br)c(C(F)(F)F)nc2N)n1
InChIInChI=1S/C11H10BrF3N6O/c1-21-3-2-5(20-21)4-17-10(22)6-9(16)19-7(8(12)18-6)11(13,14)15/h2-3H,4H2,1H3,(H2,16,19)(H,17,22)
InChIKeyROKIXRUZIPOQII-UHFFFAOYSA-N
MW379.14 g/mol
LogP1.50
Rot. Bonds3

About 3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide

3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 87379832) has the molecular formula C11H10BrF3N6O and a molecular weight of 379.14 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID87379832
Molecular FormulaC11H10BrF3N6O
Molecular Weight379.14 g/mol
Exact Mass378.01
IUPAC Name3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2nc(Br)c(C(F)(F)F)nc2N)n1
InChIInChI=1S/C11H10BrF3N6O/c1-21-3-2-5(20-21)4-17-10(22)6-9(16)19-7(8(12)18-6)11(13,14)15/h2-3H,4H2,1H3,(H2,16,19)(H,17,22)
InChIKeyROKIXRUZIPOQII-UHFFFAOYSA-N
XLogP1.50
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.14
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (CID 87379832) is 3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is Cn1ccc(CNC(=O)c2nc(Br)c(C(F)(F)F)nc2N)n1.
What is the InChIKey of 3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is ROKIXRUZIPOQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N6O/c1-21-3-2-5(20-21)4-17-10(22)6-9(16)19-7(8(12)18-6)11(13,14)15/h2-3H,4H2,1H3,(H2,16,19)(H,17,22).
What are the key properties of 3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 379.14 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 87379832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).