2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline

C14H11BrN4 — CID 175468510

IUPAC2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline
SMILESBrc1nc2ccccc2nc1-c1cn[nH]c1C1CC1
InChIInChI=1S/C14H11BrN4/c15-14-13(9-7-16-19-12(9)8-5-6-8)17-10-3-1-2-4-11(10)18-14/h1-4,7-8H,5-6H2,(H,16,19)
InChIKeyRCMAJPVPKHTWQB-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.66
Rot. Bonds2

About 2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline

2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline (PubChem CID 175468510) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline.

Molecular Properties

Compound Name2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline
PubChem CID175468510
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline
SMILESBrc1nc2ccccc2nc1-c1cn[nH]c1C1CC1
InChIInChI=1S/C14H11BrN4/c15-14-13(9-7-16-19-12(9)8-5-6-8)17-10-3-1-2-4-11(10)18-14/h1-4,7-8H,5-6H2,(H,16,19)
InChIKeyRCMAJPVPKHTWQB-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline
CID 169092433
4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
CID 126673050
2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 176550416
5-chloro-2-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine
CID 169092540
5-(5-cyclopropyl-1H-pyrazol-4-yl)-1-methylpyrazolo[4,5-b]pyridine
CID 175943844
[2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol
CID 56704240
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 115053603
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)-1-propylpiperidine
CID 26342057
5-cyclopropyl-4-(3-methylimidazol-4-yl)-1H-pyrazole
CID 169229238
(2S)-2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95197316
6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid
CID 89463703

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline?
The IUPAC name of 2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline (CID 175468510) is 2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline.
What is the SMILES notation for 2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline?
The canonical SMILES for 2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline is Brc1nc2ccccc2nc1-c1cn[nH]c1C1CC1.
What is the InChIKey of 2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline?
The InChIKey is RCMAJPVPKHTWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-14-13(9-7-16-19-12(9)8-5-6-8)17-10-3-1-2-4-11(10)18-14/h1-4,7-8H,5-6H2,(H,16,19).
What are the key properties of 2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline?
2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline has a molecular weight of 315.17 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline is sourced from PubChem (CID 175468510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).