4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride

C9H15ClN4O2 — CID 172561235

IUPAC4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
SMILESCc1nn(C2CCNCC2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C9H14N4O2.ClH/c1-7-9(13(14)15)6-12(11-7)8-2-4-10-5-3-8;/h6,8,10H,2-5H2,1H3;1H
InChIKeyCIAGUELSSIJDTJ-UHFFFAOYSA-N
MW246.70 g/mol
LogP1.45
Rot. Bonds2

About 4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride

4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride (PubChem CID 172561235) has the molecular formula C9H15ClN4O2 and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
PubChem CID172561235
Molecular FormulaC9H15ClN4O2
Molecular Weight246.70 g/mol
Exact Mass246.09
IUPAC Name4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
SMILESCc1nn(C2CCNCC2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C9H14N4O2.ClH/c1-7-9(13(14)15)6-12(11-7)8-2-4-10-5-3-8;/h6,8,10H,2-5H2,1H3;1H
InChIKeyCIAGUELSSIJDTJ-UHFFFAOYSA-N
XLogP1.45
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 51.45
H-Bond Donors ≤ 51
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-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride?
The IUPAC name of 4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride (CID 172561235) is 4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride?
The canonical SMILES for 4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride is Cc1nn(C2CCNCC2)cc1[N+](=O)[O-].Cl.
What is the InChIKey of 4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride?
The InChIKey is CIAGUELSSIJDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2.ClH/c1-7-9(13(14)15)6-12(11-7)8-2-4-10-5-3-8;/h6,8,10H,2-5H2,1H3;1H.
What are the key properties of 4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride?
4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride has a molecular weight of 246.70 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride is sourced from PubChem (CID 172561235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).