4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine

C8H10F2N4O2 — CID 144894585

IUPAC4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CNCCC2(F)F)c1
InChIInChI=1S/C8H10F2N4O2/c9-8(10)1-2-11-4-7(8)13-5-6(3-12-13)14(15)16/h3,5,7,11H,1-2,4H2
InChIKeyISTNJCJNRXIOBC-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.96
Rot. Bonds2

About 4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine

4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine (PubChem CID 144894585) has the molecular formula C8H10F2N4O2 and a molecular weight of 232.19 g/mol. Its IUPAC name is 4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine
PubChem CID144894585
Molecular FormulaC8H10F2N4O2
Molecular Weight232.19 g/mol
Exact Mass232.08
IUPAC Name4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CNCCC2(F)F)c1
InChIInChI=1S/C8H10F2N4O2/c9-8(10)1-2-11-4-7(8)13-5-6(3-12-13)14(15)16/h3,5,7,11H,1-2,4H2
InChIKeyISTNJCJNRXIOBC-UHFFFAOYSA-N
XLogP0.96
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
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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Related Compounds

3-(5-chloro-4-nitropyrazol-1-yl)-4,4-difluoropiperidine
CID 118288910
4-(4-nitropyrazol-1-yl)pyrrolidin-3-ol
CID 63705005
[3-methyl-4-(4-nitropyrazol-1-yl)piperidin-3-yl] 2,2-dimethylpropanoate
CID 174819617
1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine
CID 155280191
4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride
CID 166561535
4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine
CID 175357938
2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454304
1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole
CID 153285823
[1-(4-nitropyrazol-1-yl)cyclopropyl]methanol
CID 91619134
3-(5-nitro-2-pyridinyl)-3,9-diazaspiro[5.5]undecane
CID 71302762
N-methyl-3-(4-nitropyrazol-1-yl)cycloheptan-1-amine
CID 121419975
2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide
CID 119429214

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine?
The IUPAC name of 4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine (CID 144894585) is 4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine?
The canonical SMILES for 4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine is O=[N+]([O-])c1cnn(C2CNCCC2(F)F)c1.
What is the InChIKey of 4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine?
The InChIKey is ISTNJCJNRXIOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O2/c9-8(10)1-2-11-4-7(8)13-5-6(3-12-13)14(15)16/h3,5,7,11H,1-2,4H2.
What are the key properties of 4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine?
4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine has a molecular weight of 232.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(4-nitropyrazol-1-yl)piperidine is sourced from PubChem (CID 144894585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).