(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol

C14H13BrN4O — CID 107357737

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol
SMILESCCn1ncc(Br)c1C(O)c1cnc2ccccc2n1
InChIInChI=1S/C14H13BrN4O/c1-2-19-13(9(15)7-17-19)14(20)12-8-16-10-5-3-4-6-11(10)18-12/h3-8,14,20H,2H2,1H3
InChIKeyFOYINRBZNUIIGC-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.69
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol

(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol (PubChem CID 107357737) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol
PubChem CID107357737
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol
SMILESCCn1ncc(Br)c1C(O)c1cnc2ccccc2n1
InChIInChI=1S/C14H13BrN4O/c1-2-19-13(9(15)7-17-19)14(20)12-8-16-10-5-3-4-6-11(10)18-12/h3-8,14,20H,2H2,1H3
InChIKeyFOYINRBZNUIIGC-UHFFFAOYSA-N
XLogP2.69
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635769
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800
(4-bromo-1-ethylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636384
(1-propylpyrazol-4-yl)-quinoxalin-2-ylmethanol
CID 107357558
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
CID 114634828
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
CID 114638472
(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 114644108
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol (CID 107357737) is (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol is CCn1ncc(Br)c1C(O)c1cnc2ccccc2n1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol?
The InChIKey is FOYINRBZNUIIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-2-19-13(9(15)7-17-19)14(20)12-8-16-10-5-3-4-6-11(10)18-12/h3-8,14,20H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol?
(4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol has a molecular weight of 333.19 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-quinoxalin-2-ylmethanol is sourced from PubChem (CID 107357737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).