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

C9H15N5O2 — CID 66188443

IUPACN-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NC2CNC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O2/c1-3-7-8(14(15)16)9(13(2)12-7)11-6-4-10-5-6/h6,10-11H,3-5H2,1-2H3
InChIKeyCJEXVAPJRURJKJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.27
Rot. Bonds4

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

N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine (PubChem CID 66188443) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine
PubChem CID66188443
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NC2CNC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O2/c1-3-7-8(14(15)16)9(13(2)12-7)11-6-4-10-5-6/h6,10-11H,3-5H2,1-2H3
InChIKeyCJEXVAPJRURJKJ-UHFFFAOYSA-N
XLogP0.27
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.27
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-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66014763
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine
CID 66016422
N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66015162
3-ethyl-1-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
CID 66014368
3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine
CID 79362830
methyl 4-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]piperidine-1-carboxylate
CID 133441214
3-ethyl-1-methyl-4-nitro-N-(piperidin-3-ylmethyl)pyrazol-5-amine
CID 66016613
N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017295
3-ethyl-1-methyl-4-nitro-N-(piperidin-4-ylmethyl)pyrazol-5-amine
CID 66016615
N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine
CID 66182633
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine
CID 83025580
3-ethyl-1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-5-amine
CID 66015007

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The IUPAC name of N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine (CID 66188443) is N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine is CCc1nn(C)c(NC2CNC2)c1[N+](=O)[O-].
What is the InChIKey of N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The InChIKey is CJEXVAPJRURJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-3-7-8(14(15)16)9(13(2)12-7)11-6-4-10-5-6/h6,10-11H,3-5H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine has a molecular weight of 225.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 66188443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).