1-(3-methyl-4-nitro-1H-pyrazol-5-yl)piperidine

HCID 2829292

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Basic information

CAS: 5740-03-4
Standard SMILES: Cc1[nH]nc(N2CCCCC2)c1[N+](=O)[O-]
InChIKey: YHPDGPCBJKDJJO-UHFFFAOYSA-N
Molecular formula: C9H14N4O2
Average molar mass: 210.23 g/mol
Monoisotopic mass: 210.1116757

Names & identifiers

Preferred name: 1-(3-methyl-4-nitro-1H-pyrazol-5-yl)piperidine
IUPAC: 1-(5-methyl-4-nitro-1H-pyrazol-3-yl)piperidine

Names & synonyms

1-(3-methyl-4-nitro-1H-pyrazol-5-yl)piperidine5740-03-41-(5-methyl-4-nitro-1H-pyrazol-3-yl)piperidine1-(5-Methyl-4-nitro-2H-pyrazol-3-yl)-piperidineCBMicro_029873Oprea1_655462Oprea1_697548MLS000523668CHEMBL1367715DTXSID60972890HMS2364F14STK366839

Show more names

3-methyl-4-nitro-5-piperidylpyrazoleAKOS000520797SMR000122741BIM-0029945.P001ST4023012

Database identifiers

CAS: 5740-03-4
PubChem CID: 2829292
DTXSID: DTXSID60972890
ChEMBL: CHEMBL1367715

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 77.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 237

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