N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H12F3N5O — CID 155957736

IUPACN-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cncc(CNC(=O)Cn2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C12H12F3N5O/c1-8-4-16-5-9(18-8)6-17-11(21)7-20-3-2-10(19-20)12(13,14)15/h2-5H,6-7H2,1H3,(H,17,21)
InChIKeyWERZUIXTRKECML-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.32
Rot. Bonds4

About N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 155957736) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID155957736
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC NameN-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cncc(CNC(=O)Cn2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C12H12F3N5O/c1-8-4-16-5-9(18-8)6-17-11(21)7-20-3-2-10(19-20)12(13,14)15/h2-5H,6-7H2,1H3,(H,17,21)
InChIKeyWERZUIXTRKECML-UHFFFAOYSA-N
XLogP1.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 155957736) is N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cncc(CNC(=O)Cn2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is WERZUIXTRKECML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-8-4-16-5-9(18-8)6-17-11(21)7-20-3-2-10(19-20)12(13,14)15/h2-5H,6-7H2,1H3,(H,17,21).
What are the key properties of N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 299.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyrazin-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 155957736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).