1-(4-nitropyrazol-1-yl)piperidine;hydrochloride

C8H13ClN4O2 — CID 155191706

IUPAC1-(4-nitropyrazol-1-yl)piperidine;hydrochloride
SMILESCl.O=[N+]([O-])c1cnn(N2CCCCC2)c1
InChIInChI=1S/C8H12N4O2.ClH/c13-12(14)8-6-9-11(7-8)10-4-2-1-3-5-10;/h6-7H,1-5H2;1H
InChIKeyHXBJRQPTIDPJGO-UHFFFAOYSA-N
MW232.67 g/mol
LogP1.34
Rot. Bonds2

About 1-(4-nitropyrazol-1-yl)piperidine;hydrochloride

1-(4-nitropyrazol-1-yl)piperidine;hydrochloride (PubChem CID 155191706) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 1-(4-nitropyrazol-1-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(4-nitropyrazol-1-yl)piperidine;hydrochloride
PubChem CID155191706
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name1-(4-nitropyrazol-1-yl)piperidine;hydrochloride
SMILESCl.O=[N+]([O-])c1cnn(N2CCCCC2)c1
InChIInChI=1S/C8H12N4O2.ClH/c13-12(14)8-6-9-11(7-8)10-4-2-1-3-5-10;/h6-7H,1-5H2;1H
InChIKeyHXBJRQPTIDPJGO-UHFFFAOYSA-N
XLogP1.34
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 51.34
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-(4-nitropyrazol-1-yl)-1,2,4-triazole
CID 141178933
1-(azepan-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 17383712
(4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate
CID 118280783
1-(4-nitrophenyl)-4-pyrrolidin-1-ylpyrazole
CID 176615836
(3S)-1-[2-(4-nitropyrazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125826
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-nitropyrazol-1-yl)ethanone;hydrochloride
CID 119467272
[1-(4-nitropyrazol-1-yl)cyclopropyl]methanol
CID 91619134
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
4-nitro-1-phenylpyrazole
CID 2755894
3-[(1S)-1-(4-nitropyrazol-1-yl)propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 95796917
1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine
CID 155280191
N-[2-(azepan-1-yl)phenyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 60574074

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitropyrazol-1-yl)piperidine;hydrochloride?
The IUPAC name of 1-(4-nitropyrazol-1-yl)piperidine;hydrochloride (CID 155191706) is 1-(4-nitropyrazol-1-yl)piperidine;hydrochloride.
What is the SMILES notation for 1-(4-nitropyrazol-1-yl)piperidine;hydrochloride?
The canonical SMILES for 1-(4-nitropyrazol-1-yl)piperidine;hydrochloride is Cl.O=[N+]([O-])c1cnn(N2CCCCC2)c1.
What is the InChIKey of 1-(4-nitropyrazol-1-yl)piperidine;hydrochloride?
The InChIKey is HXBJRQPTIDPJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2.ClH/c13-12(14)8-6-9-11(7-8)10-4-2-1-3-5-10;/h6-7H,1-5H2;1H.
What are the key properties of 1-(4-nitropyrazol-1-yl)piperidine;hydrochloride?
1-(4-nitropyrazol-1-yl)piperidine;hydrochloride has a molecular weight of 232.67 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitropyrazol-1-yl)piperidine;hydrochloride is sourced from PubChem (CID 155191706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).