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

C14H24ClN5O2 — CID 120904484

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride
SMILESCC1(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCNC1.Cl
InChIInChI=1S/C14H23N5O2.ClH/c1-14(5-6-15-10-14)11-17-7-2-12(3-8-17)18-9-4-13(16-18)19(20)21;/h4,9,12,15H,2-3,5-8,10-11H2,1H3;1H
InChIKeyFQEHBZXKAPVESI-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.85
Rot. Bonds4

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

1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride (PubChem CID 120904484) has the molecular formula C14H24ClN5O2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride
PubChem CID120904484
Molecular FormulaC14H24ClN5O2
Molecular Weight329.83 g/mol
Exact Mass329.16
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride
SMILESCC1(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCNC1.Cl
InChIInChI=1S/C14H23N5O2.ClH/c1-14(5-6-15-10-14)11-17-7-2-12(3-8-17)18-9-4-13(16-18)19(20)21;/h4,9,12,15H,2-3,5-8,10-11H2,1H3;1H
InChIKeyFQEHBZXKAPVESI-UHFFFAOYSA-N
XLogP1.85
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-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

1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine
CID 120904485
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(2-nitrophenyl)piperazine;hydrochloride
CID 120897398
acetyl chloride;4-(3-nitropyrazol-1-yl)piperidine;1-[4-(3-nitropyrazol-1-yl)piperidin-1-yl]ethanone
CID 160755747
1-(azetidin-3-yl)-3-nitropyrazole
CID 62783890
N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride
CID 120903287
1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole
CID 120904397
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887
1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol
CID 157067849
N,6-dimethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]pyridazin-3-amine;hydrochloride
CID 120903619
1-[(3-methylpyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpiperidine
CID 120905754
N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 120898687

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride (CID 120904484) is 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride is CC1(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCNC1.Cl.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride?
The InChIKey is FQEHBZXKAPVESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2.ClH/c1-14(5-6-15-10-14)11-17-7-2-12(3-8-17)18-9-4-13(16-18)19(20)21;/h4,9,12,15H,2-3,5-8,10-11H2,1H3;1H.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride?
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride is sourced from PubChem (CID 120904484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).