N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(hydroxyamino)-3-iminopropanamide
Basic information
- CAS
92441-07-1- Standard SMILES
Cc1c(NC(=O)CC(N)=NO)c(=O)n(-c2ccccc2)n1C- InChIKey
AYLZLERRZYVVHQ-UHFFFAOYSA-N- Molecular formula
- C14H17N5O3
- Average molar mass
- 303.32 g/mol
- Monoisotopic mass
- 303.13313942
Names & identifiers
- Preferred name
- N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(hydroxyamino)-3-iminopropanamide
- IUPAC
- 3-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hydroxyiminopropanamide
- English name
- N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(N-hydroxycarbamimidoyl)-acetamide
- Molecular formula
- C14H17N5O3
- Molecular weight
- 303.32
Names & synonyms
92441-07-1N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(hydroxyamino)-3-iminopropanamideN-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(hydroxyamino)-3-iminopropanamideAKOS0306617113-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hydroxyiminopropanamideF9885783-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-hydroxyimino-propanamide3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(hydroxyimino)propanamide(3Z)-3-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hydroxyiminopropanamideN-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(N-hydroxycarbamimidoyl)-acetamide
Database identifiers
- CAS
92441-07-1- PubChem CID
- 2393543
- EC Number
- 155-005-1
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- White to off-white Solid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…