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

C14H23N5O2 — CID 120904485

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine
SMILESCC1(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCNC1
InChIInChI=1S/C14H23N5O2/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
InChIKeyHZMZIDCFOJIZOK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.43
Rot. Bonds4

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

1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine (PubChem CID 120904485) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine
PubChem CID120904485
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine
SMILESCC1(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCNC1
InChIInChI=1S/C14H23N5O2/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
InChIKeyHZMZIDCFOJIZOK-UHFFFAOYSA-N
XLogP1.43
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.43
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'}

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Related Compounds

1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine;hydrochloride
CID 120904484
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
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(2-nitrophenyl)piperazine;hydrochloride
CID 120897398
1-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-2,3-dihydroindole
CID 120904397
1-cyclopropyl-3-nitropyrazole;1-cyclopropylpyrazol-3-amine;methanol
CID 157067849
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
N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride
CID 120903287
1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120902403
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine (CID 120904485) is 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine is CC1(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCNC1.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine?
The InChIKey is HZMZIDCFOJIZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/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.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine?
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(3-nitropyrazol-1-yl)piperidine has a molecular weight of 293.37 g/mol, XLogP of 1.43, 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 is sourced from PubChem (CID 120904485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).