1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine

C11H17FN4O2 — CID 155280199

IUPAC1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine
SMILESCc1nn(C2CCN(CCF)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17FN4O2/c1-9-11(16(17)18)8-15(13-9)10-2-5-14(6-3-10)7-4-12/h8,10H,2-7H2,1H3
InChIKeyGMFURCBFWLUXOR-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.71
Rot. Bonds4

About 1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine

1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine (PubChem CID 155280199) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine
PubChem CID155280199
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine
SMILESCc1nn(C2CCN(CCF)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17FN4O2/c1-9-11(16(17)18)8-15(13-9)10-2-5-14(6-3-10)7-4-12/h8,10H,2-7H2,1H3
InChIKeyGMFURCBFWLUXOR-UHFFFAOYSA-N
XLogP1.71
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.71
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'}

Analyze 1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 172561235
3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]-4-nitropyrazole
CID 155280262
1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine
CID 122604139
1-[3-(difluoromethoxy)cyclobutyl]-3-methyl-4-nitropyrazole
CID 135374492
3-(3-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 135374315
3-iodo-4-nitro-1-(oxan-4-yl)pyrazole
CID 122684246
4-nitro-1-(oxan-4-yl)pyrazole-3-carboxylic acid
CID 90424390
tert-butyl 4-(3-ethoxy-4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 171524613
1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol
CID 156823470
1-cyclopent-3-en-1-yl-3-(difluoromethyl)-4-nitropyrazole
CID 172586980
4-[4-[3-(difluoromethyl)-4-nitropyrazol-1-yl]piperidin-1-yl]benzoic acid
CID 146598731
4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane
CID 177246443

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine?
The IUPAC name of 1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine (CID 155280199) is 1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine?
The canonical SMILES for 1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine is Cc1nn(C2CCN(CCF)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine?
The InChIKey is GMFURCBFWLUXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-9-11(16(17)18)8-15(13-9)10-2-5-14(6-3-10)7-4-12/h8,10H,2-7H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine?
1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine has a molecular weight of 256.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine is sourced from PubChem (CID 155280199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).