1H-Pyrazole-5-carboxamide, N-cycloheptyl-1-methyl-4-nitro-
Basic information
- CAS
512826-90-3- Standard SMILES
Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCCCCC1- InChIKey
SEBZWJSMLMLYBA-UHFFFAOYSA-N- Molecular formula
- C12H18N4O3
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13789045
Names & identifiers
- Preferred name
- 1H-Pyrazole-5-carboxamide, N-cycloheptyl-1-methyl-4-nitro-
- IUPAC
- N-cycloheptyl-1-methyl-4-nitropyrazole-5-carboxamide
Names & synonyms
512826-90-31H-Pyrazole-5-carboxamide, N-cycloheptyl-1-methyl-4-nitro-RefChem:240065N-cycloheptyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamideN-cycloheptyl-4-nitro-1-methyl-1H-pyrazole-5-carboxamideOprea1_384383MLS001147436N-cycloheptyl-2-methyl-4-nitropyrazole-3-carboxamideCHEMBL1877691DTXSID501191827HMS2997I17STL396164
Show more names
AKOS003746641SMR000672747ST45142739AK-968/11824027N-cycloheptyl(1-methyl-4-nitropyrazol-5-yl)carboxamide
Database identifiers
- CAS
512826-90-3- PubChem CID
- 903073
- DTXSID
DTXSID501191827- ChEMBL
CHEMBL1877691
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Solubility37.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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