(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone

C14H11BrN4O — CID 105130247

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone
SMILESCCn1ncc(Br)c1C(=O)c1cccc2nccnc12
InChIInChI=1S/C14H11BrN4O/c1-2-19-13(10(15)8-18-19)14(20)9-4-3-5-11-12(9)17-7-6-16-11/h3-8H,2H2,1H3
InChIKeyCFKRPOBLYWWRRM-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.84
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone

(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone (PubChem CID 105130247) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone
PubChem CID105130247
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone
SMILESCCn1ncc(Br)c1C(=O)c1cccc2nccnc12
InChIInChI=1S/C14H11BrN4O/c1-2-19-13(10(15)8-18-19)14(20)9-4-3-5-11-12(9)17-7-6-16-11/h3-8H,2H2,1H3
InChIKeyCFKRPOBLYWWRRM-UHFFFAOYSA-N
XLogP2.84
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 115803593
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone
CID 114641961
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 107996691
(4-bromo-1-ethylpyrazol-5-yl)-isoquinolin-1-ylmethanone
CID 114640184
(3-aminophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668097
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methanone
CID 115803500
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
CID 114641629
(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 114638877

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone (CID 105130247) is (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone is CCn1ncc(Br)c1C(=O)c1cccc2nccnc12.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone?
The InChIKey is CFKRPOBLYWWRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-2-19-13(10(15)8-18-19)14(20)9-4-3-5-11-12(9)17-7-6-16-11/h3-8H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone?
(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone has a molecular weight of 331.17 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-5-ylmethanone is sourced from PubChem (CID 105130247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).