5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C7H8N4O3 — CID 135241053

IUPAC5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2ncc([N+](=O)[O-])c2C1=O
InChIInChI=1S/C7H8N4O3/c1-9-2-3-10-6(7(9)12)5(4-8-10)11(13)14/h4H,2-3H2,1H3
InChIKeyVMYZLNKWAQOYGZ-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.12
Rot. Bonds1

About 5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 135241053) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID135241053
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2ncc([N+](=O)[O-])c2C1=O
InChIInChI=1S/C7H8N4O3/c1-9-2-3-10-6(7(9)12)5(4-8-10)11(13)14/h4H,2-3H2,1H3
InChIKeyVMYZLNKWAQOYGZ-UHFFFAOYSA-N
XLogP-0.12
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
CID 122678097
5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine
CID 102336741
2-methyl-7-nitro-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 71364376
1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole
CID 1423020
5-(3,4-dihydro-2H-pyran-6-yl)-1-methyl-4-nitropyrazole
CID 90072281
1-methyl-4-nitro-5-propan-2-ylpyrazole
CID 83381679
5-ethyl-1-methyl-4-nitropyrazole
CID 154882110
1-methyl-5-methylsulfonyl-4-nitropyrazole
CID 105457047
tert-butyl N-[3-(7-nitro-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)propyl]carbamate
CID 58465101
1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperazine-2,3-dione
CID 107348517
4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine
CID 141363083
6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 80502820

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 135241053) is 5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN1CCn2ncc([N+](=O)[O-])c2C1=O.
What is the InChIKey of 5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VMYZLNKWAQOYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c1-9-2-3-10-6(7(9)12)5(4-8-10)11(13)14/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 196.17 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 135241053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).