4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one

C19H15BrN4O — CID 16730590

IUPAC4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2cccc(Br)c2)c(=O)n1C
InChIInChI=1S/C19H15BrN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3
InChIKeySURSJPWDJHARHK-UHFFFAOYSA-N
MW395.26 g/mol
LogP3.76
Rot. Bonds2

About 4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one

4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one (PubChem CID 16730590) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one.

Molecular Properties

Compound Name4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
PubChem CID16730590
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2cccc(Br)c2)c(=O)n1C
InChIInChI=1S/C19H15BrN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3
InChIKeySURSJPWDJHARHK-UHFFFAOYSA-N
XLogP3.76
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Quinoxaline-6-carboxylic acid (2-bromo-phenyl)-amide
CID 857101
3-bromo-4-methyl-N-quinolin-8-ylbenzamide
CID 902789
N-(4-bromo-3-methylphenyl)quinoxaline-6-carboxamide
CID 2448937
1,2-Dimethyl-5-quinoxalin-6-yl-4-m-tolyl-1,2-dihydro-pyrazol-3-one
CID 16070117
1,2-Dimethyl-4-pyridin-2-yl-5-quinoxalin-6-yl-1,2-dihydro-pyrazol-3-one
CID 16730334
4-(3-chlorophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
CID 16730337
4-(3-fluorophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
CID 16730340
1,2-dimethyl-5-(quinoxalin-6-yl)-4-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3(2H)-one
CID 16730412
4-(3-acetylphenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
CID 16730503
2-(3-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihydro-1H-pyrazol-4-yl)phenyl)acetonitrile
CID 16730673
1,2-dimethyl-4-phenyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
CID 16730828
1,2-Dimethyl-4-(6-methyl-pyridin-2-yl)-5-quinoxalin-6-yl-1,2-dihydro-pyrazol-3-one
CID 16730829

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one?
The IUPAC name of 4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one (CID 16730590) is 4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one.
What is the SMILES notation for 4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one?
The canonical SMILES for 4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one is Cn1c(-c2ccc3nccnc3c2)c(-c2cccc(Br)c2)c(=O)n1C.
What is the InChIKey of 4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one?
The InChIKey is SURSJPWDJHARHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3.
What are the key properties of 4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one?
4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one has a molecular weight of 395.26 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one is sourced from PubChem (CID 16730590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).