2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide

C16H14BrN5O — CID 122246619

IUPAC2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
SMILESCn1cc(-c2nccnc2CNC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C16H14BrN5O/c1-22-10-11(8-21-22)15-14(18-6-7-19-15)9-20-16(23)12-4-2-3-5-13(12)17/h2-8,10H,9H2,1H3,(H,20,23)
InChIKeySWPAUTJFJVQRNX-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.57
Rot. Bonds4

About 2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide

2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide (PubChem CID 122246619) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
PubChem CID122246619
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
SMILESCn1cc(-c2nccnc2CNC(=O)c2ccccc2Br)cn1
InChIInChI=1S/C16H14BrN5O/c1-22-10-11(8-21-22)15-14(18-6-7-19-15)9-20-16(23)12-4-2-3-5-13(12)17/h2-8,10H,9H2,1H3,(H,20,23)
InChIKeySWPAUTJFJVQRNX-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide (CID 122246619) is 2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide is Cn1cc(-c2nccnc2CNC(=O)c2ccccc2Br)cn1.
What is the InChIKey of 2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide?
The InChIKey is SWPAUTJFJVQRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-22-10-11(8-21-22)15-14(18-6-7-19-15)9-20-16(23)12-4-2-3-5-13(12)17/h2-8,10H,9H2,1H3,(H,20,23).
What are the key properties of 2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide?
2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide has a molecular weight of 372.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide is sourced from PubChem (CID 122246619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).