N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide

C16H19N5O3 — CID 133275709

IUPACN-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC(n2cccn2)C1
InChIInChI=1S/C16H19N5O3/c1-17-16(22)14-10-12(21(23)24)5-6-15(14)19-8-2-4-13(11-19)20-9-3-7-18-20/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,17,22)
InChIKeyZLYMJIJNBWMXFX-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.99
Rot. Bonds4

About N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide

N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide (PubChem CID 133275709) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide
PubChem CID133275709
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC(n2cccn2)C1
InChIInChI=1S/C16H19N5O3/c1-17-16(22)14-10-12(21(23)24)5-6-15(14)19-8-2-4-13(11-19)20-9-3-7-18-20/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,17,22)
InChIKeyZLYMJIJNBWMXFX-UHFFFAOYSA-N
XLogP1.99
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(azepan-1-yl)piperidin-1-yl]-N-methyl-5-nitrobenzamide
CID 133454478
1-[4-nitro-2-(trifluoromethyl)phenyl]-3-pyrazol-1-ylpiperidine
CID 133275718
N-methyl-2-(3-methylpyrrolidin-1-yl)-5-nitrobenzamide
CID 86879051
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-methyl-5-nitrobenzamide
CID 86934501
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N-methyl-5-nitrobenzamide
CID 133499059
1-[2-(methylcarbamoyl)-4-nitrophenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305531
ethane;N-methyl-2-(4-methylpiperazin-1-yl)-5-nitrobenzamide
CID 145134608
2-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N-methyl-5-nitrobenzamide
CID 86947115
N-methyl-5-nitro-2-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]benzamide
CID 133345653
(1-methylimidazol-2-yl)-[3-nitro-4-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]methanone
CID 133275725
2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-methyl-5-nitrobenzamide
CID 133305484
2-(4-benzoylpiperazin-1-yl)-N-methyl-5-nitrobenzamide
CID 87020739

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide?
The IUPAC name of N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide (CID 133275709) is N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide?
The canonical SMILES for N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide is CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC(n2cccn2)C1.
What is the InChIKey of N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide?
The InChIKey is ZLYMJIJNBWMXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-17-16(22)14-10-12(21(23)24)5-6-15(14)19-8-2-4-13(11-19)20-9-3-7-18-20/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,17,22).
What are the key properties of N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide?
N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide has a molecular weight of 329.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-2-(3-pyrazol-1-ylpiperidin-1-yl)benzamide is sourced from PubChem (CID 133275709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).