1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine

C10H15FN4O2 — CID 131873394

IUPAC1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine
SMILESCCN1CCC(n2cc([N+](=O)[O-])cn2)C(F)C1
InChIInChI=1S/C10H15FN4O2/c1-2-13-4-3-10(9(11)7-13)14-6-8(5-12-14)15(16)17/h5-6,9-10H,2-4,7H2,1H3
InChIKeyBOSNNDLPNGQPLS-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.40
Rot. Bonds3

About 1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine

1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine (PubChem CID 131873394) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine
PubChem CID131873394
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine
SMILESCCN1CCC(n2cc([N+](=O)[O-])cn2)C(F)C1
InChIInChI=1S/C10H15FN4O2/c1-2-13-4-3-10(9(11)7-13)14-6-8(5-12-14)15(16)17/h5-6,9-10H,2-4,7H2,1H3
InChIKeyBOSNNDLPNGQPLS-UHFFFAOYSA-N
XLogP1.40
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine?
The IUPAC name of 1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine (CID 131873394) is 1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine.
What is the SMILES notation for 1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine?
The canonical SMILES for 1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine is CCN1CCC(n2cc([N+](=O)[O-])cn2)C(F)C1.
What is the InChIKey of 1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine?
The InChIKey is BOSNNDLPNGQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2/c1-2-13-4-3-10(9(11)7-13)14-6-8(5-12-14)15(16)17/h5-6,9-10H,2-4,7H2,1H3.
What are the key properties of 1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine?
1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine has a molecular weight of 242.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine is sourced from PubChem (CID 131873394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).