1H-Pyrazole, 3-ethyl-4,5-dihydro-

HCID 558149

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Basic information

CAS: 5920-29-6
Standard SMILES: CCC1=NNCC1
InChIKey: WYAQEFBMDQTMID-UHFFFAOYSA-N
Molecular formula: C5H10N2
Average molar mass: 98.15 g/mol
Monoisotopic mass: 98.08439833

Names & identifiers

Preferred name: 1H-Pyrazole, 3-ethyl-4,5-dihydro-
IUPAC: 3-ethyl-4,5-dihydro-1H-pyrazole
English name: 3-Ethyl-4,5-dihydro-1H-pyrazole
Molecular formula: C5H10N2
Molecular weight: 98.15

Names & synonyms

3-Ethyl-4,5-dihydro-1H-pyrazole1H-Pyrazole, 3-ethyl-4,5-dihydro-5920-29-63-Ethyl-2-pyrazoline3-Ethyl-.DELTA.[2]-pyrazolineSCHEMBL685032DTXSID503397363-ethyl-4,5-dihydro-1h-pyrazolpyrazole, 3-ethyl-4,5-dihydro-3-Ethyl-4,5-dihydro-1H-pyrazole #DB-315406Q63395732

Database identifiers

CAS: 5920-29-6
PubChem CID: 558149
DTXSID: DTXSID50339736
Nikkaji: J47.760E

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 24.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 86.1

Physicochemical properties

Boiling point: 70 °C · 70 °C(Press: 16 Torr)
Density: 1.06 · 1.06±0.1 g/cm3(Predicted)
pka: 5.51 · 5.51±0.70(Predicted)

Related reactions

1 records

New reaction record

HRID 1484438As reactantuspto-grants-2016_08

Compound notes

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