1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-, ethyl ester
Basic information
- CAS
133261-07-1- Standard SMILES
CCCc1cc(C(=O)OCC)n(C)n1- InChIKey
ZPSRHLWRTVNGSM-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2
- Average molar mass
- 196.25 g/mol
- Monoisotopic mass
- 196.12117775
Names & identifiers
- Preferred name
- 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-, ethyl ester
- IUPAC
- ethyl 1-methyl-3-propylpyrazole-5-carboxylate
- English name
- 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid ethyl ester
- Molecular formula
- C10H16N2O2
- Molecular weight
- 196.25
Names & synonyms
133261-07-11H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-, ethyl esterRefChem:1058507603-727-7Ethyl 1-methyl-3-propyl-1H-pyrazole-5-carboxylate1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid ethyl esterMFCD08459062ETHYL 2-METHYL-5-PROPYLPYRAZOLE-3-CARBOXYLATEEthyl 2-methyl-5-propyl-pyrazole-3-carboxylateSildenafil Impurity 54Sildenafil Impurity 201Methisosildenafil Impurity 13
Show more names
Ethyl 3-propyl-1H-pyrazole-5-carboxylate
1-Methyl-3-n-propylpyrazole-5-carboxylic acid ethyl esterDTXSID50436436ZPSRHLWRTVNGSM-UHFFFAOYSA-N1-methyl-3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester ,97%AKOS006291224AS-71477SY069029CS-0321022
Database identifiers
- CAS
133261-07-1- PubChem CID
- 10176532
- DTXSID
DTXSID50436436- EC Number
- 603-727-7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 302 · 302.0±30.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 1.03 · 1.03±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319-H335-H402
- Precautionary statements
- 210 · P210-P261-P264-P271-P273-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
- Safety Statements
- 24 · 24/25
- HazardClass
- IRRITANT
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Hazard statements
- H227-H315-H319-H335-H402
- Precautionary statements
- P210-P261-P264-P271-P273-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Applications
Uses1-Methyl-3-propyl-1H-pyrazole-5-carboxylic Acid Ethyl Ester, is an intermediate for the synthesis of Sildenafil (S435000), a phosphodiesterase V inhibitor.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
13 records
Compound notes
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