Basic information
- CAS
1005558-05-3- Standard SMILES
CCn1ncc(C#N)c1C- InChIKey
UUXMDCWZGXWAHL-UHFFFAOYSA-N- Molecular formula
- C7H9N3
- Average molar mass
- 135.17 g/mol
- Monoisotopic mass
- 135.0796473
Names & identifiers
- Preferred name
- 1-ethyl-5-methyl-1H-pyrazole-4-carbonitrile
- IUPAC
- 1-ethyl-5-methylpyrazole-4-carbonitrile
- English name
- AKOS B019535
- Molecular formula
- C7H9N3
- Molecular weight
- 135.17
Names & synonyms
1-ethyl-5-methyl-1H-pyrazole-4-carbonitrile1005558-05-31-ethyl-5-methylpyrazole-4-carbonitrileMFCD040508611-ethyl-5-methyl-pyrazole-4-carbonitrile1H-Pyrazole-4-carbonitrile, 1-ethyl-5-methyl-SCHEMBL16911543SCHEMBL19504919DTXSID60406423ALBB-030528STK305554AKOS000309841
Show more names
AKOS B019535ART-CHEM-BB B0195351-Ethyl-5-methyl-1H-pyrazol-4-carbonitrile1-ethyl-5-methyl-1H-pyrazole-4-carbonitrile(SALTDATA: FREE)
LS-10903ST45074556H45287F310839
Database identifiers
- CAS
1005558-05-3- PubChem CID
- 4774209
- DTXSID
DTXSID60406423
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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