4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine

C11H15F3N4O2 — CID 175357938

IUPAC4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CCN(CC(F)C(F)F)CC2)c1
InChIInChI=1S/C11H15F3N4O2/c12-10(11(13)14)7-16-3-1-8(2-4-16)17-6-9(5-15-17)18(19)20/h5-6,8,10-11H,1-4,7H2
InChIKeyANZVCTVBNAAKBZ-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.03
Rot. Bonds5

About 4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine

4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine (PubChem CID 175357938) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine
PubChem CID175357938
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CCN(CC(F)C(F)F)CC2)c1
InChIInChI=1S/C11H15F3N4O2/c12-10(11(13)14)7-16-3-1-8(2-4-16)17-6-9(5-15-17)18(19)20/h5-6,8,10-11H,1-4,7H2
InChIKeyANZVCTVBNAAKBZ-UHFFFAOYSA-N
XLogP2.03
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.03
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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Related Compounds

1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine
CID 155280191
(2R)-2-(difluoromethyl)-4-(4-nitropyrazol-1-yl)-1-[(1R)-1-phenylethyl]piperidine
CID 118280676
tert-butyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 56777238
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 122141416
1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine
CID 175587738
2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol
CID 142395517
N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 154965834
tert-butyl 4-[4-(4-nitropyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 177197342
N-methyl-3-(4-nitropyrazol-1-yl)cycloheptan-1-amine
CID 121419975
tert-butyl 3-(4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate;ethane
CID 156721962
(3R,4S)-3-methyl-4-(4-nitropyrazol-1-yl)-1-(oxetan-3-yl)piperidine
CID 162748013
1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol
CID 110019596

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine?
The IUPAC name of 4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine (CID 175357938) is 4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine is O=[N+]([O-])c1cnn(C2CCN(CC(F)C(F)F)CC2)c1.
What is the InChIKey of 4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine?
The InChIKey is ANZVCTVBNAAKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c12-10(11(13)14)7-16-3-1-8(2-4-16)17-6-9(5-15-17)18(19)20/h5-6,8,10-11H,1-4,7H2.
What are the key properties of 4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine?
4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine has a molecular weight of 292.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 175357938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).