1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine

C12H21N5O2 — CID 66015236

IUPAC1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine
SMILESCCc1nn(C)c(N2CCNCC2(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O2/c1-5-9-10(17(18)19)11(15(4)14-9)16-7-6-13-8-12(16,2)3/h13H,5-8H2,1-4H3
InChIKeyCHGGIEDFPLNQNI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.08
Rot. Bonds3

About 1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine

1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine (PubChem CID 66015236) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine
PubChem CID66015236
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine
SMILESCCc1nn(C)c(N2CCNCC2(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C12H21N5O2/c1-5-9-10(17(18)19)11(15(4)14-9)16-7-6-13-8-12(16,2)3/h13H,5-8H2,1-4H3
InChIKeyCHGGIEDFPLNQNI-UHFFFAOYSA-N
XLogP1.08
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.08
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

2,2-dimethyl-1-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperazine
CID 66027950
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azepane
CID 133423341
2,2-dimethyl-1-(4-nitrophenyl)piperazine
CID 65463015
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine
CID 66016624
3-ethyl-1,5-dimethyl-4-nitropyrazole
CID 89037224
3-cyclopropyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azetidin-3-ol
CID 66015652
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-2-yl]ethanol
CID 66016828
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657963
N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine
CID 115305500
3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine
CID 133440986
3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine
CID 79362830
3-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 66015848

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine?
The IUPAC name of 1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine (CID 66015236) is 1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine?
The canonical SMILES for 1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine is CCc1nn(C)c(N2CCNCC2(C)C)c1[N+](=O)[O-].
What is the InChIKey of 1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine?
The InChIKey is CHGGIEDFPLNQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-9-10(17(18)19)11(15(4)14-9)16-7-6-13-8-12(16,2)3/h13H,5-8H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine?
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine has a molecular weight of 267.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethylpiperazine is sourced from PubChem (CID 66015236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).