(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride

C9H15ClN4O2 — CID 140765908

IUPAC(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
SMILESCc1c([N+](=O)[O-])cnn1[C@@H]1CCCNC1.Cl
InChIInChI=1S/C9H14N4O2.ClH/c1-7-9(13(14)15)6-11-12(7)8-3-2-4-10-5-8;/h6,8,10H,2-5H2,1H3;1H/t8-;/m1./s1
InChIKeySWUITWWSXKWIJY-DDWIOCJRSA-N
MW246.70 g/mol
LogP1.45
Rot. Bonds2

About (3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride

(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride (PubChem CID 140765908) has the molecular formula C9H15ClN4O2 and a molecular weight of 246.70 g/mol. Its IUPAC name is (3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
PubChem CID140765908
Molecular FormulaC9H15ClN4O2
Molecular Weight246.70 g/mol
Exact Mass246.09
IUPAC Name(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
SMILESCc1c([N+](=O)[O-])cnn1[C@@H]1CCCNC1.Cl
InChIInChI=1S/C9H14N4O2.ClH/c1-7-9(13(14)15)6-11-12(7)8-3-2-4-10-5-8;/h6,8,10H,2-5H2,1H3;1H/t8-;/m1./s1
InChIKeySWUITWWSXKWIJY-DDWIOCJRSA-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'}

Analyze (3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride 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

tert-butyl formate;(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine
CID 174819152
3-(5-chloro-4-nitropyrazol-1-yl)piperidine
CID 146481316
[3-(5-methyl-4-nitropyrazol-1-yl)cyclobutyl]methanol
CID 135374285
5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride
CID 162313016
methyl 3-(5-methyl-4-nitropyrazol-1-yl)cyclobutane-1-carboxylate
CID 135374496
tert-butyl (3S)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 118288867
3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine
CID 84604219
3-(5-methyl-4-nitropyrazol-1-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 135374406
3-(3,5-dimethylpyrazol-1-yl)piperidine
CID 54592912
3-(5-chloro-4-nitropyrazol-1-yl)-4,4-difluoropiperidine
CID 118288910
2-methyl-3-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716604
3-(4-bromo-5-chloropyrazol-1-yl)piperidine
CID 83672051

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride?
The IUPAC name of (3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride (CID 140765908) is (3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride.
What is the SMILES notation for (3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride?
The canonical SMILES for (3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride is Cc1c([N+](=O)[O-])cnn1[C@@H]1CCCNC1.Cl.
What is the InChIKey of (3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride?
The InChIKey is SWUITWWSXKWIJY-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H14N4O2.ClH/c1-7-9(13(14)15)6-11-12(7)8-3-2-4-10-5-8;/h6,8,10H,2-5H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride?
(3R)-3-(5-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 (3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride is sourced from PubChem (CID 140765908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).