Basic information
- CAS
957490-45-8- Standard SMILES
CCn1cc(N)c(C(N)=O)n1- InChIKey
KOKWBJQUPVMWDJ-UHFFFAOYSA-N- Molecular formula
- C6H10N4O
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.08546096
Names & identifiers
- Preferred name
- 4-amino-1-ethyl-1H-pyrazole-3-carboxamide
- IUPAC
- 4-amino-1-ethylpyrazole-3-carboxamide
- English name
- 4-Amino-1-ethyl-1H-pyrazole-3-carboxylic acid amide
- Molecular formula
- C6H10N4O
- Molecular weight
- 154.17
Names & synonyms
4-amino-1-ethyl-1H-pyrazole-3-carboxamide957490-45-84-amino-1-ethylpyrazole-3-carboxamideMFCD034225471H-pyrazole-3-carboxamide, 4-amino-1-ethyl-4-Amino-1-ethyl-1H-pyrazole-3-carboxylic acid amideSCHEMBL18077295DTXSID401271440HMS1697K01ALBB-009990SBB010353STK313223
Show more names
ZINC02558394AKOS B014414BAS 13522552ART-CHEM-BB B014414TIMTEC-BB SBB010353
AKOS000301900SB175454-amino-1-ethyl-pyrazole-3-carboxamideLS-03387ST078284DB-138168CS-0119759EN300-178097
Database identifiers
- CAS
957490-45-8- PubChem CID
- 6485352
- DTXSID
DTXSID401271440
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 354.4 · 354.4±22.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 15.5 · 15.50±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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