Basic information
- CAS
517870-26-7- Standard SMILES
COC(=O)c1cc(-c2cccc(OC)c2)n[nH]1- InChIKey
DXLHHWULCGOGII-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- Methyl 3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylate
- IUPAC
- methyl 3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylate
- English name
- 5-(3-Methoxy-phenyl)-2H-pyrazole-3-carboxylic acid methyl ester
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
517870-26-7methyl 3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylateDTXSID50349411RefChem:354660DTXCID50300481methyl 5-(3-methoxyphenyl)-1H-pyrazole-3-carboxylateMFCD037789845-(3-METHOXY-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER5-(3-Methoxy-phenyl)-1H-pyrazole-3-carboxylic acid methyl estermethyl 5-(3-methoxyphenyl)pyrazole-3-carboxylateMFCD07021285MLS000076543
Show more names
1H-Pyrazole-3-carboxylic acid, 5-(3-methoxyphenyl)-, methyl ester
F2130-0126CHEMBL1564002SCHEMBL29819664SCHEMBL31130219HMS2323P135-(3-Methoxy-phenyl)-1 H -pyrazole-3-carboxylic acid methyl esterSBB009489STK312729
Database identifiers
- CAS
517870-26-7- PubChem CID
- 645705
- DTXSID
DTXSID50349411- ChEMBL
CHEMBL1564002
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
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
Suppliers4 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
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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