(3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide

C8H11N4O2- — CID 163645584

IUPAC(3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide
SMILESO=[N+]([O-])c1cnn([C@@H]2CCC[N-]C2)c1
InChIInChI=1S/C8H11N4O2/c13-12(14)8-5-10-11(6-8)7-2-1-3-9-4-7/h5-7H,1-4H2/q-1/t7-/m1/s1
InChIKeyIHXWAAFYDDYHFU-SSDOTTSWSA-N
MW195.20 g/mol
LogP1.50
Rot. Bonds2

About (3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide

(3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide (PubChem CID 163645584) has the molecular formula C8H11N4O2- and a molecular weight of 195.20 g/mol. Its IUPAC name is (3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide.

Molecular Properties

Compound Name(3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide
PubChem CID163645584
Molecular FormulaC8H11N4O2-
Molecular Weight195.20 g/mol
Exact Mass195.09
IUPAC Name(3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide
SMILESO=[N+]([O-])c1cnn([C@@H]2CCC[N-]C2)c1
InChIInChI=1S/C8H11N4O2/c13-12(14)8-5-10-11(6-8)7-2-1-3-9-4-7/h5-7H,1-4H2/q-1/t7-/m1/s1
InChIKeyIHXWAAFYDDYHFU-SSDOTTSWSA-N
XLogP1.50
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide?
The IUPAC name of (3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide (CID 163645584) is (3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide.
What is the SMILES notation for (3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide?
The canonical SMILES for (3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide is O=[N+]([O-])c1cnn([C@@H]2CCC[N-]C2)c1.
What is the InChIKey of (3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide?
The InChIKey is IHXWAAFYDDYHFU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11N4O2/c13-12(14)8-5-10-11(6-8)7-2-1-3-9-4-7/h5-7H,1-4H2/q-1/t7-/m1/s1.
What are the key properties of (3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide?
(3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide has a molecular weight of 195.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-nitropyrazol-1-yl)piperidin-1-ide is sourced from PubChem (CID 163645584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).