6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one
Basic information
- CAS
323199-38-8- Standard SMILES
O=c1cc2ncc(-c3[nH]ncc3[N+](=O)[O-])cn2[nH]1- InChIKey
GRYUIUOQDGXQLC-UHFFFAOYSA-N- Molecular formula
- C9H6N6O3
- Average molar mass
- 246.18 g/mol
- Monoisotopic mass
- 246.05013807
Names & identifiers
- Preferred name
- 6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one
- IUPAC
- 6-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-2-one
Names & synonyms
323199-38-86-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one6-(4-nitro-1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-2-one6-(4-nitro-1{H}-pyrazol-3-yl)pyrazolo[1,5-{a}]pyrimidin-2(1{H})-one6-(4-nitropyrazol-3-yl)-8-hydro-3-pyrazolino[2,3-a]pyrimidin-2-oneMLS000708842CHEMBL1348763DTXSID801320100HMS2744D05MFCD00473084SBB013940STK746655
Show more names
AKOS000560958SMR000289609ST013458CS-0327868SR-01000507572SR-01000507572-16-(4-Nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one
Database identifiers
- CAS
323199-38-8- PubChem CID
- 721606
- DTXSID
DTXSID801320100- ChEMBL
CHEMBL1348763
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 505
Experimental & physicochemical properties
Solubility35 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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