4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide

C13H13BrN4O3 — CID 146152495

IUPAC4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide
SMILESCn1cc(Br)c(NC(=O)COc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H13BrN4O3/c1-18-6-10(14)13(17-18)16-11(19)7-21-9-4-2-8(3-5-9)12(15)20/h2-6H,7H2,1H3,(H2,15,20)(H,16,17,19)
InChIKeyHIZIEMFYOFVBQN-UHFFFAOYSA-N
MW353.18 g/mol
LogP1.30
Rot. Bonds5

About 4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide

4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide (PubChem CID 146152495) has the molecular formula C13H13BrN4O3 and a molecular weight of 353.18 g/mol. Its IUPAC name is 4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide
PubChem CID146152495
Molecular FormulaC13H13BrN4O3
Molecular Weight353.18 g/mol
Exact Mass352.02
IUPAC Name4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide
SMILESCn1cc(Br)c(NC(=O)COc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H13BrN4O3/c1-18-6-10(14)13(17-18)16-11(19)7-21-9-4-2-8(3-5-9)12(15)20/h2-6H,7H2,1H3,(H2,15,20)(H,16,17,19)
InChIKeyHIZIEMFYOFVBQN-UHFFFAOYSA-N
XLogP1.30
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide (CID 146152495) is 4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide is Cn1cc(Br)c(NC(=O)COc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide?
The InChIKey is HIZIEMFYOFVBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O3/c1-18-6-10(14)13(17-18)16-11(19)7-21-9-4-2-8(3-5-9)12(15)20/h2-6H,7H2,1H3,(H2,15,20)(H,16,17,19).
What are the key properties of 4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide?
4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide has a molecular weight of 353.18 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-bromo-1-methylpyrazol-3-yl)amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 146152495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).