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'}

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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).