N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine

C11H20N6O2 — CID 83025580

IUPACN-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine
SMILESCCc1nn(C)c(NN2CCN(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H20N6O2/c1-4-9-10(17(18)19)11(15(3)12-9)13-16-7-5-14(2)6-8-16/h13H,4-8H2,1-3H3
InChIKeyRANVSUNVVGKUKE-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.47
Rot. Bonds4

About N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine

N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine (PubChem CID 83025580) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine
PubChem CID83025580
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC NameN-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine
SMILESCCc1nn(C)c(NN2CCN(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H20N6O2/c1-4-9-10(17(18)19)11(15(3)12-9)13-16-7-5-14(2)6-8-16/h13H,4-8H2,1-3H3
InChIKeyRANVSUNVVGKUKE-UHFFFAOYSA-N
XLogP0.47
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine
CID 83003565
N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66014763
3-ethyl-1-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
CID 66014368
N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66188443
N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66015162
3-ethyl-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-nitropyrazol-5-amine
CID 133440603
3-ethyl-1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-5-amine
CID 66015007
N-ethyl-N'-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66015428
3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine
CID 79362830
methyl 3-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propanoate
CID 66015783
3-ethyl-N-[(1-ethylcyclopropyl)methyl]-1-methyl-4-nitropyrazol-5-amine
CID 113346535
2-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2-methylpropane-1,2-diamine
CID 66016810

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine (CID 83025580) is N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine is CCc1nn(C)c(NN2CCN(C)CC2)c1[N+](=O)[O-].
What is the InChIKey of N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine?
The InChIKey is RANVSUNVVGKUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-4-9-10(17(18)19)11(15(3)12-9)13-16-7-5-14(2)6-8-16/h13H,4-8H2,1-3H3.
What are the key properties of N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine?
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine has a molecular weight of 268.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83025580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).