Basic information
- CAS
50920-48-4- Standard SMILES
CCOC(=O)c1cc(C)n(C(C)C)n1- InChIKey
XOJOQIUVANMZEP-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2
- Average molar mass
- 196.25 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-isopropyl-5-methyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 5-methyl-1-propan-2-ylpyrazole-3-carboxylate
- English name
- Ethyl 1-isopropyl-5-methyl-1H-pyrazole-3-carboxylate
- Molecular formula
- C10H16N2O2
- Molecular weight
- 196.25
Names & synonyms
50920-48-4ethyl 1-isopropyl-5-methyl-1H-pyrazole-3-carboxylateRefChem:593333959-418-5ethyl 5-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylateMFCD08700679ethyl 5-methyl-1-propan-2-ylpyrazole-3-carboxylateF2145-1028SCHEMBL9941672XOJOQIUVANMZEP-UHFFFAOYSA-NALBB-032329AKOS003673207
Show more names
1H-Pyrazole-3-carboxylic acid, 5-methyl-1-(1-methylethyl)-, ethyl ester
LS-11960SY304411DB-400943EN300-239736H46277ethyl 1-isopropyl-5-methyl-pyrazole-3-carboxylateF495450ethyl1-isopropyl-5-methyl-1H-pyrazole-3-carboxylate
Database identifiers
- CAS
50920-48-4- PubChem CID
- 23005696
- EC Number
- 959-418-5
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 161 · 161-163 °C(Press: 23 Torr)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 0.58 · 0.58±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
4 records
Compound notes
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