3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxamide
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Basic information
- CAS
1397191-27-3- Standard SMILES
COc1ccc(-c2cc(C(N)=O)n[nH]2)cc1- InChIKey
UMZGNZPQSGMSGI-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxamide
- IUPAC
- 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
- English name
- 3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxamide
- Molecular formula
- C11H11N3O2
- Molecular weight
- 217.22
Names & synonyms
3-(4-METHOXYPHENYL)-1H-PYRAZOLE-5-CARBOXAMIDE1397191-27-3SCHEMBL2848443SCHEMBL4557695MFCD09991500SY0725583-(4-Methoxyphenyl)-1H-pyrazole-5-carboxamide, 97%1H-Pyrazole-3-carboxamide, 5-(4-methoxyphenyl)-
Database identifiers
- CAS
1397191-27-3- PubChem CID
- 53487048
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 494.6 · 494.6±40.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 11.36 · 11.36±0.10(Predicted)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 29331990 · 29331990
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
- hs_code
- 29331990
- risk_code
- 36/37/38
- safety_code
- 26-36
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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