CAS 251658-58-9 Ethyl 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylate (HCID 575603)

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Basic information

CAS: 251658-58-9
Standard SMILES: CCOC(=O)c1cc(-c2cccnc2)n[nH]1
InChIKey: PHRDPBKZRMDSTI-UHFFFAOYSA-N
Molecular formula: C11H11N3O2
Average molar mass: 217.22 g/mol
Monoisotopic mass: 217.08512659

Names & identifiers

Preferred name: Ethyl 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylate
IUPAC: ethyl 3-pyridin-3-yl-1H-pyrazole-5-carboxylate
English name: 5-(Pyridin-3-yl)-1H-pyrazole-3-carboxylic acid ethyl ester
Molecular formula: C11H11N3O2
Molecular weight: 217.22

Names & synonyms

251658-58-9ETHYL 3-(PYRIDIN-3-YL)-1H-PYRAZOLE-5-CARBOXYLATEDTXSID90341772RefChem:343273DTXCID50292852Ethyl 5-(pyridin-3-yl)-1H-pyrazole-3-carboxylateethyl 3-pyridin-3-yl-1H-pyrazole-5-carboxylate5-(PYRIDIN-3-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTERMFCD086901661H-Pyrazole-3-carboxylic acid, 5-(3-pyridinyl)-, ethyl esterEthyl 5-[3-pyridyl]-pyrazole-3-carboxylateSCHEMBL1816625

Show more names

Ethyl 5-(pyridin-3-yl)-1H-pyrazole-3-carboxylate ,97%5-Pyridin-3-yl-2H-pyrazole-3-carboxylicacidethylester

SCHEMBL28187715-pyridin-3-yl-1H-pyrazole-3-carboxylic acid ethyl ester3-(3-PYRIDINYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTERAKOS015935180AB71751AS-71110SY068040DB-067331

Database identifiers

CAS: 251658-58-9
PubChem CID: 575603
DTXSID: DTXSID90341772

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 247

Physicochemical properties

Melting point: 162 · 162-163 °C
Boiling point: 455.9 · 455.9±35.0 °C(Predicted)
Density: 1.249 · 1.249±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.2 · 9.20±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 3 · 3/9-36/37
HS Code: 29333990 · 29333990