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

C11H15F3N4O2 — CID 156566023

IUPAC4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CCN(CCC(F)(F)F)CC2)c1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)3-6-16-4-1-9(2-5-16)17-8-10(7-15-17)18(19)20/h7-9H,1-6H2
InChIKeyYHYRSFBJLDNLSC-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.38
Rot. Bonds4

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

4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 156566023) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine
PubChem CID156566023
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CCN(CCC(F)(F)F)CC2)c1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)3-6-16-4-1-9(2-5-16)17-8-10(7-15-17)18(19)20/h7-9H,1-6H2
InChIKeyYHYRSFBJLDNLSC-UHFFFAOYSA-N
XLogP2.38
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.38
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 4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)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-(4-nitro-1H-pyrazol-1-yl)-1-(piperidin-1-yl)butan-1-one
CID 1512406
1-(difluoromethyl)-4-nitro-1H-pyrazole
CID 7017245
1-(2-fluoroethyl)-4-nitro-1H-pyrazole
CID 58464989
1-(2-Fluoro-2,2-dinitroethyl)-4-nitropyrazole
CID 168304520
1-Butyl-4-nitropyrazole
CID 50999673
(3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide
CID 163645584
1-(2,2-difluoroethyl)-4-nitro-1H-pyrazole
CID 19614647
4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 19618250
1-(4-Fluorobutyl)-4-nitro-1H-pyrazole
CID 56604404
3,3-difluoro-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)piperidine
CID 58464978
4,4-difluoro-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)piperidine
CID 58465091
1-(5-Fluoro-hexyl)-4-nitro-1H-pyrazole
CID 66928493

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine (CID 156566023) is 4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine is O=[N+]([O-])c1cnn(C2CCN(CCC(F)(F)F)CC2)c1.
What is the InChIKey of 4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is YHYRSFBJLDNLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c12-11(13,14)3-6-16-4-1-9(2-5-16)17-8-10(7-15-17)18(19)20/h7-9H,1-6H2.
What are the key properties of 4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine?
4-(4-nitropyrazol-1-yl)-1-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 292.26 g/mol, XLogP of 2.38, 4 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-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 156566023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).