1-ethyl-3,5-dimethyl-4-nitropyrazole

C7H11N3O2 — CID 3546708

IUPAC1-ethyl-3,5-dimethyl-4-nitropyrazole
SMILESCCn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C7H11N3O2/c1-4-9-6(3)7(10(11)12)5(2)8-9/h4H2,1-3H3
InChIKeyJOFFXYAXIJPCIB-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.43
Rot. Bonds2

About 1-ethyl-3,5-dimethyl-4-nitropyrazole

1-ethyl-3,5-dimethyl-4-nitropyrazole (PubChem CID 3546708) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-4-nitropyrazole.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-4-nitropyrazole
PubChem CID3546708
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-ethyl-3,5-dimethyl-4-nitropyrazole
SMILESCCn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C7H11N3O2/c1-4-9-6(3)7(10(11)12)5(2)8-9/h4H2,1-3H3
InChIKeyJOFFXYAXIJPCIB-UHFFFAOYSA-N
XLogP1.43
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetaldehyde
CID 45157282
1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine
CID 130557665
1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-amine
CID 102689139
1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ol
CID 60878381
2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl chloride
CID 83813704
3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
CID 4137846
1-(3-bromo-2-methylpropyl)-3,5-dimethyl-4-nitropyrazole
CID 64996121
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide
CID 19557948
5-(2-chloro-4-methylpentan-3-yl)-1-ethyl-3-methyl-4-nitropyrazole
CID 66012872
5-(2-bromo-4-methylpentan-3-yl)-1-ethyl-3-methyl-4-nitropyrazole
CID 66012873
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide
CID 51852290
5-(2-chlorobutyl)-1-ethyl-3-methyl-4-nitropyrazole
CID 66013658

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-4-nitropyrazole?
The IUPAC name of 1-ethyl-3,5-dimethyl-4-nitropyrazole (CID 3546708) is 1-ethyl-3,5-dimethyl-4-nitropyrazole.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-4-nitropyrazole?
The canonical SMILES for 1-ethyl-3,5-dimethyl-4-nitropyrazole is CCn1nc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-4-nitropyrazole?
The InChIKey is JOFFXYAXIJPCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-9-6(3)7(10(11)12)5(2)8-9/h4H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-4-nitropyrazole?
1-ethyl-3,5-dimethyl-4-nitropyrazole has a molecular weight of 169.18 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-4-nitropyrazole is sourced from PubChem (CID 3546708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).