5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine

C13H12FN5 — CID 67409709

IUPAC5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine
SMILESCc1cc(F)c2nc(C)c(-c3cc(N)n[nH]3)nc2c1
InChIInChI=1S/C13H12FN5/c1-6-3-8(14)13-9(4-6)17-12(7(2)16-13)10-5-11(15)19-18-10/h3-5H,1-2H3,(H3,15,18,19)
InChIKeyQDBMBJUNJWIPBN-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.36
Rot. Bonds1

About 5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine

5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine (PubChem CID 67409709) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine
PubChem CID67409709
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine
SMILESCc1cc(F)c2nc(C)c(-c3cc(N)n[nH]3)nc2c1
InChIInChI=1S/C13H12FN5/c1-6-3-8(14)13-9(4-6)17-12(7(2)16-13)10-5-11(15)19-18-10/h3-5H,1-2H3,(H3,15,18,19)
InChIKeyQDBMBJUNJWIPBN-UHFFFAOYSA-N
XLogP2.36
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine (CID 67409709) is 5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine is Cc1cc(F)c2nc(C)c(-c3cc(N)n[nH]3)nc2c1.
What is the InChIKey of 5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine?
The InChIKey is QDBMBJUNJWIPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-6-3-8(14)13-9(4-6)17-12(7(2)16-13)10-5-11(15)19-18-10/h3-5H,1-2H3,(H3,15,18,19).
What are the key properties of 5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine?
5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine has a molecular weight of 257.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3,7-dimethylquinoxalin-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 67409709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).