1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine

C8H14N4O2 — CID 130557665

IUPAC1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1N(C)C
InChIInChI=1S/C8H14N4O2/c1-5-11-8(10(3)4)7(12(13)14)6(2)9-11/h5H2,1-4H3
InChIKeyRNGWOTFIQAIROI-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.19
Rot. Bonds3

About 1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine

1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine (PubChem CID 130557665) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine
PubChem CID130557665
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1N(C)C
InChIInChI=1S/C8H14N4O2/c1-5-11-8(10(3)4)7(12(13)14)6(2)9-11/h5H2,1-4H3
InChIKeyRNGWOTFIQAIROI-UHFFFAOYSA-N
XLogP1.19
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708
5-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-methylamino]pentan-1-ol
CID 107203493
3-[ethyl-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]butanoic acid
CID 66012570
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-pentan-3-ylamino]ethanol
CID 66011281
1-ethyl-N,3-dimethyl-4-nitro-N-(2-piperazin-1-ylethyl)pyrazol-5-amine
CID 66013026
1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 66012600
5-(2-bromo-4-methylpentan-3-yl)-1-ethyl-3-methyl-4-nitropyrazole
CID 66012873
5-(2-chloro-4-methylpentan-3-yl)-1-ethyl-3-methyl-4-nitropyrazole
CID 66012872
2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)sulfanylacetic acid
CID 66013162
5-(2-bromobutyl)-1-ethyl-3-methyl-4-nitropyrazole
CID 66011511
5-(2-chlorobutyl)-1-ethyl-3-methyl-4-nitropyrazole
CID 66013658
3-ethyl-N,N,1-trimethyl-4-nitropyrazol-5-amine
CID 130557668

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine?
The IUPAC name of 1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine (CID 130557665) is 1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine?
The canonical SMILES for 1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine is CCn1nc(C)c([N+](=O)[O-])c1N(C)C.
What is the InChIKey of 1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine?
The InChIKey is RNGWOTFIQAIROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5-11-8(10(3)4)7(12(13)14)6(2)9-11/h5H2,1-4H3.
What are the key properties of 1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine?
1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine has a molecular weight of 198.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 130557665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).