N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide

C20H16BrN5O2 — CID 18200557

IUPACN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C20H16BrN5O2/c21-15-7-5-14(6-8-15)12-26-18(9-10-23-26)24-19(27)13-25-17-4-2-1-3-16(17)22-11-20(25)28/h1-11H,12-13H2,(H,24,27)
InChIKeyNZUZOKXMFOSAOY-UHFFFAOYSA-N
MW438.29 g/mol
LogP3.04
Rot. Bonds5

About N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 18200557) has the molecular formula C20H16BrN5O2 and a molecular weight of 438.29 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID18200557
Molecular FormulaC20H16BrN5O2
Molecular Weight438.29 g/mol
Exact Mass437.05
IUPAC NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C20H16BrN5O2/c21-15-7-5-14(6-8-15)12-26-18(9-10-23-26)24-19(27)13-25-17-4-2-1-3-16(17)22-11-20(25)28/h1-11H,12-13H2,(H,24,27)
InChIKeyNZUZOKXMFOSAOY-UHFFFAOYSA-N
XLogP3.04
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-(2-cyclohexylpyrazol-3-yl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 78772056
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55699552
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232
N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8012872
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
3-(1,3-benzothiazol-2-yl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 34074010

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 18200557) is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide is O=C(Cn1c(=O)cnc2ccccc21)Nc1ccnn1Cc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is NZUZOKXMFOSAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O2/c21-15-7-5-14(6-8-15)12-26-18(9-10-23-26)24-19(27)13-25-17-4-2-1-3-16(17)22-11-20(25)28/h1-11H,12-13H2,(H,24,27).
What are the key properties of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 438.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 18200557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).