N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine

C10H19N5O2 — CID 66013610

IUPACN-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
SMILESCCNCCNc1c([N+](=O)[O-])c(C)nn1CC
InChIInChI=1S/C10H19N5O2/c1-4-11-6-7-12-10-9(15(16)17)8(3)13-14(10)5-2/h11-12H,4-7H2,1-3H3
InChIKeyLCOOLLKZOJIQHW-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.14
Rot. Bonds7

About N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine

N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine (PubChem CID 66013610) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
PubChem CID66013610
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC NameN-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
SMILESCCNCCNc1c([N+](=O)[O-])c(C)nn1CC
InChIInChI=1S/C10H19N5O2/c1-4-11-6-7-12-10-9(15(16)17)8(3)13-14(10)5-2/h11-12H,4-7H2,1-3H3
InChIKeyLCOOLLKZOJIQHW-UHFFFAOYSA-N
XLogP1.14
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83030491
N-[2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]ethyl]acetamide
CID 66012195
1-ethyl-3-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-5-amine
CID 82944468
5-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]pentanoic acid
CID 66013355
6-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]hexanoic acid
CID 66012370
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 105418962
N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66028978
4-[2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]ethyl]phenol
CID 66011621
N-[2-(4-aminophenyl)ethyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 66011658
1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitropyrazol-5-amine
CID 114468858
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 66012600

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine (CID 66013610) is N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine is CCNCCNc1c([N+](=O)[O-])c(C)nn1CC.
What is the InChIKey of N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine?
The InChIKey is LCOOLLKZOJIQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-4-11-6-7-12-10-9(15(16)17)8(3)13-14(10)5-2/h11-12H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine?
N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine has a molecular weight of 241.29 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 66013610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).