CAS 116856-18-9 2-(5-Formamido-1H-pyrazol-1-yl)ethyl formate (HCID 14996567)

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Basic information

CAS: 116856-18-9
Standard SMILES: O=CNc1ccnn1CCOC=O
InChIKey: ADNBFDFIEWMUBJ-UHFFFAOYSA-N
Molecular formula: C7H9N3O3
Average molar mass: 183.16 g/mol
Monoisotopic mass: 183.06439115

Names & identifiers

Preferred name: 2-(5-Formamido-1H-pyrazol-1-yl)ethyl formate
IUPAC: 2-(5-formamidopyrazol-1-yl)ethyl formate
English name: 5-Formamide-1-(2-formyloxyethl)pyrazole
Molecular formula: C7H9N3O3
Molecular weight: 183.16

Names & synonyms

116856-18-92-(5-Formamido-1H-pyrazol-1-yl)ethyl formateDTXSID00566712RefChem:252925DTXCID005174865-Formamide-1-(2-formyloxyethl)pyrazole5-Formamido-1-[2-(formyloxy)ethyl]pyrazole2-(5-formamidopyrazol-1-yl)ethyl formateMFCD09744040N-[1-[2-(Formyloxy)ethyl]-1H-pyrazol-5-yl]formamideFormamide, N-[1-[2-(formyloxy)ethyl]-1H-pyrazol-5-yl]-5-formamido-1-(2-formyloxyethyl)pyrazole

Show more names

Cefoselis Side Chain2-(5-Formamido-1H-pyrazoLCYCLOPENTANEMETHYLAMINE HCL2-(5-Formamido-1H-pyrazol-1-yl)5-Formamido-1-(2-formyloxy)pyrazole5-formamido-1-(2-formyloxyethyl)-1H-pyrazole5-Formamido-1-[2-(formyloxy)ethyl]pyrazole>

5-Formylamino-1-(2-formyloxyethyl)pyrazoleSCHEMBL8881436ADNBFDFIEWMUBJ-UHFFFAOYSA-NAKOS006332048AC-82915-formamido-l-(2-formyloxyethyl)pyrazoleDS-18358SY033895

Database identifiers

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 73.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 176

Physicochemical properties

Melting point: 84 · 84-86 °C
Boiling point: 414.8 · 414.8±25.0 °C(Predicted)
Density: 1.32 · 1.32
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 14.29 · 14.29±0.70(Predicted)
form: Solid
color: White to Almost white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2933199090 · 2933199090