4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one

C14H15N5O2 — CID 66121842

IUPAC4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1nn(C)c(C(=O)N2CC(=O)Nc3ccccc32)c1N
InChIInChI=1S/C14H15N5O2/c1-8-12(15)13(18(2)17-8)14(21)19-7-11(20)16-9-5-3-4-6-10(9)19/h3-6H,7,15H2,1-2H3,(H,16,20)
InChIKeyBZGNHUKIYFZFPU-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.91
Rot. Bonds1

About 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 66121842) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID66121842
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1nn(C)c(C(=O)N2CC(=O)Nc3ccccc32)c1N
InChIInChI=1S/C14H15N5O2/c1-8-12(15)13(18(2)17-8)14(21)19-7-11(20)16-9-5-3-4-6-10(9)19/h3-6H,7,15H2,1-2H3,(H,16,20)
InChIKeyBZGNHUKIYFZFPU-UHFFFAOYSA-N
XLogP0.91
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-dimethylpyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 103662293
1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethane-1,2-dione
CID 134061828
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione
CID 66123250
(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 66120055
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66121435
4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 30213832
4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 64524021
4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 80617607
4-(6-aminopyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 62152009
4-(5-methylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2475308
4-(2-methylpyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106753524
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 66121842) is 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one is Cc1nn(C)c(C(=O)N2CC(=O)Nc3ccccc32)c1N.
What is the InChIKey of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is BZGNHUKIYFZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-12(15)13(18(2)17-8)14(21)19-7-11(20)16-9-5-3-4-6-10(9)19/h3-6H,7,15H2,1-2H3,(H,16,20).
What are the key properties of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 285.31 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 66121842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).