2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide

C12H19N5O3 — CID 119429214

IUPAC2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)NC1CCCNC1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H19N5O3/c1-12(2,16-8-10(7-14-16)17(19)20)11(18)15-9-4-3-5-13-6-9/h7-9,13H,3-6H2,1-2H3,(H,15,18)
InChIKeyRBQLMQQXVZGVGF-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.39
Rot. Bonds4

About 2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide

2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide (PubChem CID 119429214) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide
PubChem CID119429214
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)NC1CCCNC1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H19N5O3/c1-12(2,16-8-10(7-14-16)17(19)20)11(18)15-9-4-3-5-13-6-9/h7-9,13H,3-6H2,1-2H3,(H,15,18)
InChIKeyRBQLMQQXVZGVGF-UHFFFAOYSA-N
XLogP0.39
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
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

2-methyl-2-(4-nitropyrazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454304
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-2-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119459576
2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427651
2-methyl-2-(4-nitropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813654
1-cyclopropylethyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate
CID 75395080
1-[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119166615
N-(3-methylpiperidin-4-yl)-3-(4-nitropyrazol-1-yl)propanamide
CID 120556078
N-(azepan-4-yl)-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 107172299
4-nitro-1-propan-2-yl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62378968
3-[4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]phenyl]prop-2-enoic acid
CID 91943301
(2R)-4-methyl-2-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pentanoic acid
CID 119364109
1-(3-nitrophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 95400189

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide?
The IUPAC name of 2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide (CID 119429214) is 2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide?
The canonical SMILES for 2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide is CC(C)(C(=O)NC1CCCNC1)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide?
The InChIKey is RBQLMQQXVZGVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-12(2,16-8-10(7-14-16)17(19)20)11(18)15-9-4-3-5-13-6-9/h7-9,13H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide?
2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide has a molecular weight of 281.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-nitropyrazol-1-yl)-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 119429214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).