5-amino-1-methyl-1H-pyrazole-4-carboxamide
Basic information
- CAS
18213-75-7- Standard SMILES
Cn1ncc(C(N)=O)c1N- InChIKey
JGSQVTVXGXOSCH-UHFFFAOYSA-N- Molecular formula
- C5H8N4O
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.06981089
Names & identifiers
- Preferred name
- 5-amino-1-methyl-1H-pyrazole-4-carboxamide
- IUPAC
- 5-amino-1-methylpyrazole-4-carboxamide
- English name
- 5-Amino-1-methylpyrazole-4-carboxamide
- Molecular formula
- C5H8N4O
- Molecular weight
- 140.14
Names & synonyms
5-amino-1-methyl-1h-pyrazole-4-carboxamideDTXSID50295449RefChem:532032DTXCID00246587830-344-418213-75-75-amino-1-methylpyrazole-4-carboxamide1H-Pyrazole-4-carboxamide, 5-amino-1-methyl-MFCD001118083-imino-2-methyl-2,3-dihydro-1H-pyrazole-4-carboxamide5-Amino-1-methyl-1H-pyrazole-4-carboxylic acid amide1955523-45-1
Show more names
5-amino-1-methyl-4-pyrazolecarboxamide5-Amino-1-methylpyrazole-4-carboxamide, tech5-Amino-1,3-dimethyl-1H-pyrazole-4-carboxamide1H-Pyrazole-4-carboxamide,5-amino-1-methyl-(9CI)5-Amino-1-methyl-1h-pyrazole-4-carboxamide, tech
5-amino-1-methyl-pyrazole-4-carboxamide5-Amino-1-methyl-1H-pyrazole-4-carbamideNSC102026NCIOpen2_001914SCHEMBL174225BUTTPARK 94\04-11JGSQVTVXGXOSCH-UHFFFAOYSA-NHMS1625I19
Database identifiers
- CAS
18213-75-7- PubChem CID
- 265696
- DTXSID
DTXSID50295449- EC Number
- 830-344-4
- Nikkaji
- J1.420.995F
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 224 · 224-226°C
- Boiling point
- 355.1 · 355.1±22.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 15.26 · 15.26±0.50(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-25
- Safety Statements
- 26 · 26-36/37/39-24/25-22-45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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%)
Safety data
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933199090
- risk_code
- 36/37/38-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- safety_code
- 26-36/37/39-24/25-22-45
- hazard_class
- IRRITANT
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Compound notes
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