(1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone

C11H16N4O3 — CID 17026783

IUPAC(1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-8-5-3-4-6-14(8)11(16)10-9(15(17)18)7-13(2)12-10/h7-8H,3-6H2,1-2H3
InChIKeyNBXCVNZSOKGOHE-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.34
Rot. Bonds2

About (1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone

(1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 17026783) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID17026783
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-8-5-3-4-6-14(8)11(16)10-9(15(17)18)7-13(2)12-10/h7-8H,3-6H2,1-2H3
InChIKeyNBXCVNZSOKGOHE-UHFFFAOYSA-N
XLogP1.34
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
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'}

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Related Compounds

1-(1-methyl-4-nitropyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 120684305
(1,3-dimethyl-4-nitropyrazol-5-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51389969
(2-chloro-5-nitro-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 103730785
(2,4-dinitrophenyl)-(2-methylpiperidin-1-yl)methanone
CID 4182062
(4-methyl-3-nitrophenyl)-(2-methylpiperidin-1-yl)methanone
CID 4104154
[3-(2-methylpiperidine-1-carbonyl)-5-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 5008991
(4-amino-3-nitrophenyl)-(2-methylpiperidin-1-yl)methanone
CID 47102376
(2-chloro-3-nitrophenyl)-(2-methylpiperidin-1-yl)methanone
CID 112576207
(2,6-dimethylpiperidin-1-yl)-(1-ethyl-4-nitropyrazol-3-yl)methanone
CID 4770786
1-methyl-4-nitropyrazole-3-carbonyl chloride
CID 19619555
(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97458045
2-(1-methyl-4-nitropyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 120686661

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone (CID 17026783) is (1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1nn(C)cc1[N+](=O)[O-].
What is the InChIKey of (1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is NBXCVNZSOKGOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8-5-3-4-6-14(8)11(16)10-9(15(17)18)7-13(2)12-10/h7-8H,3-6H2,1-2H3.
What are the key properties of (1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone?
(1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 252.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-nitropyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 17026783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).