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

C11H19N5O2 — CID 66016422

IUPACN-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine
SMILESCCc1nn(C)c(NC2CCCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O2/c1-3-9-10(16(17)18)11(15(2)14-9)13-8-5-4-6-12-7-8/h8,12-13H,3-7H2,1-2H3
InChIKeyKRKVXTKMQJGTPP-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.05
Rot. Bonds4

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

N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine (PubChem CID 66016422) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine
PubChem CID66016422
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine
SMILESCCc1nn(C)c(NC2CCCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O2/c1-3-9-10(16(17)18)11(15(2)14-9)13-8-5-4-6-12-7-8/h8,12-13H,3-7H2,1-2H3
InChIKeyKRKVXTKMQJGTPP-UHFFFAOYSA-N
XLogP1.05
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.05
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

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-4-nitro-N-(piperidin-3-ylmethyl)pyrazol-5-amine
CID 66016613
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-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017295
N-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)azepan-3-amine
CID 66017638
1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine
CID 62381165
3-ethyl-1-methyl-4-nitro-N-(2-pyrrolidin-2-ylethyl)pyrazol-5-amine
CID 114794452
3-ethyl-1-methyl-4-nitro-N-(piperidin-4-ylmethyl)pyrazol-5-amine
CID 66016615
3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine
CID 66014859
methyl 4-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]piperidine-1-carboxylate
CID 133441214

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine?
The IUPAC name of N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine (CID 66016422) is N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine.
What is the SMILES notation for N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine?
The canonical SMILES for N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine is CCc1nn(C)c(NC2CCCNC2)c1[N+](=O)[O-].
What is the InChIKey of N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine?
The InChIKey is KRKVXTKMQJGTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-9-10(16(17)18)11(15(2)14-9)13-8-5-4-6-12-7-8/h8,12-13H,3-7H2,1-2H3.
What are the key properties of N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine?
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine has a molecular weight of 253.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 66016422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).