2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide

C12H11BrN4O2 — CID 61393410

IUPAC2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)Nc1ccn[nH]1
InChIInChI=1S/C12H11BrN4O2/c13-9-4-2-1-3-8(9)12(19)14-7-11(18)16-10-5-6-15-17-10/h1-6H,7H2,(H,14,19)(H2,15,16,17,18)
InChIKeyBJVSOASDBLDOHL-UHFFFAOYSA-N
MW323.15 g/mol
LogP1.54
Rot. Bonds4

About 2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide

2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide (PubChem CID 61393410) has the molecular formula C12H11BrN4O2 and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
PubChem CID61393410
Molecular FormulaC12H11BrN4O2
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Br)Nc1ccn[nH]1
InChIInChI=1S/C12H11BrN4O2/c13-9-4-2-1-3-8(9)12(19)14-7-11(18)16-10-5-6-15-17-10/h1-6H,7H2,(H,14,19)(H2,15,16,17,18)
InChIKeyBJVSOASDBLDOHL-UHFFFAOYSA-N
XLogP1.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]furan-2-carboxamide
CID 61393852
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
2-bromo-N-(6-oxo-1H-pyridazin-5-yl)benzamide
CID 132590615
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 26578993
2-iodo-N-(1H-pyrazol-5-yl)benzamide
CID 61393108
3-[[2-[(2-bromobenzoyl)amino]acetyl]amino]butanoic acid
CID 43360744
2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
CID 71904660
2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571223
N-[2-(2-bromoanilino)-2-oxoethyl]-2-fluorobenzamide
CID 7719800
2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 18272438

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide (CID 61393410) is 2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1Br)Nc1ccn[nH]1.
What is the InChIKey of 2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
The InChIKey is BJVSOASDBLDOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2/c13-9-4-2-1-3-8(9)12(19)14-7-11(18)16-10-5-6-15-17-10/h1-6H,7H2,(H,14,19)(H2,15,16,17,18).
What are the key properties of 2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide?
2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide has a molecular weight of 323.15 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]benzamide is sourced from PubChem (CID 61393410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).