N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine

C11H19N5O2 — CID 66182633

IUPACN-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(N(CC)C2CNC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O2/c1-4-9-10(16(17)18)11(14(3)13-9)15(5-2)8-6-12-7-8/h8,12H,4-7H2,1-3H3
InChIKeyIJEWVXRXEFXURK-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.69
Rot. Bonds5

About N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine

N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine (PubChem CID 66182633) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine
PubChem CID66182633
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(N(CC)C2CNC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O2/c1-4-9-10(16(17)18)11(14(3)13-9)15(5-2)8-6-12-7-8/h8,12H,4-7H2,1-3H3
InChIKeyIJEWVXRXEFXURK-UHFFFAOYSA-N
XLogP0.69
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.69
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

3-ethyl-N,N,1-trimethyl-4-nitropyrazol-5-amine
CID 130557668
1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine
CID 66018288
N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
CID 133423374
3-[cyclobutyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 102868690
4-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-methylamino]cyclohexan-1-one
CID 79120535
N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66188443
4-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79118877
N-(azetidin-3-yl)-N-ethyl-4-methyl-3-nitropyridin-2-amine
CID 66182623
2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid
CID 66015955
2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
CID 66013849
2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
CID 66017329
1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine
CID 116653456

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine?
The IUPAC name of N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine (CID 66182633) is N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine is CCc1nn(C)c(N(CC)C2CNC2)c1[N+](=O)[O-].
What is the InChIKey of N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine?
The InChIKey is IJEWVXRXEFXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-9-10(16(17)18)11(14(3)13-9)15(5-2)8-6-12-7-8/h8,12H,4-7H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine?
N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine has a molecular weight of 253.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 66182633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).