3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine

C10H15FN4O2 — CID 118288742

IUPAC3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine
SMILESCc1c([N+](=O)[O-])cnn1C1CCN(C)CC1F
InChIInChI=1S/C10H15FN4O2/c1-7-10(15(16)17)5-12-14(7)9-3-4-13(2)6-8(9)11/h5,8-9H,3-4,6H2,1-2H3
InChIKeyCLIAXYPZANDZOI-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.31
Rot. Bonds2

About 3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine

3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine (PubChem CID 118288742) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine
PubChem CID118288742
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine
SMILESCc1c([N+](=O)[O-])cnn1C1CCN(C)CC1F
InChIInChI=1S/C10H15FN4O2/c1-7-10(15(16)17)5-12-14(7)9-3-4-13(2)6-8(9)11/h5,8-9H,3-4,6H2,1-2H3
InChIKeyCLIAXYPZANDZOI-UHFFFAOYSA-N
XLogP1.31
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.31
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 3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine?
The IUPAC name of 3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine (CID 118288742) is 3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine.
What is the SMILES notation for 3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine?
The canonical SMILES for 3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine is Cc1c([N+](=O)[O-])cnn1C1CCN(C)CC1F.
What is the InChIKey of 3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine?
The InChIKey is CLIAXYPZANDZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2/c1-7-10(15(16)17)5-12-14(7)9-3-4-13(2)6-8(9)11/h5,8-9H,3-4,6H2,1-2H3.
What are the key properties of 3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine?
3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine has a molecular weight of 242.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine is sourced from PubChem (CID 118288742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).