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

C7H11N3O2 — CID 89037224

IUPAC3-ethyl-1,5-dimethyl-4-nitropyrazole
SMILESCCc1nn(C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H11N3O2/c1-4-6-7(10(11)12)5(2)9(3)8-6/h4H2,1-3H3
InChIKeyXEIAKVVXHXTOBK-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.20
Rot. Bonds2

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

3-ethyl-1,5-dimethyl-4-nitropyrazole (PubChem CID 89037224) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-ethyl-1,5-dimethyl-4-nitropyrazole.

Molecular Properties

Compound Name3-ethyl-1,5-dimethyl-4-nitropyrazole
PubChem CID89037224
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-ethyl-1,5-dimethyl-4-nitropyrazole
SMILESCCc1nn(C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H11N3O2/c1-4-6-7(10(11)12)5(2)9(3)8-6/h4H2,1-3H3
InChIKeyXEIAKVVXHXTOBK-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
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

3-ethyl-N,N,1-trimethyl-4-nitropyrazol-5-amine
CID 130557668
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azepane
CID 133423341
3-ethyl-1-methyl-5-(2-methylimidazol-1-yl)-4-nitropyrazole
CID 66015700
N-ethyl-N'-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66015428
3-ethyl-1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-5-amine
CID 66015007
N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66014763
2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79246133
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
3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine
CID 79362830
5-(2-chloroethylsulfonyl)-3-ethyl-1-methyl-4-nitropyrazole
CID 66014218
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine
CID 83025580

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5-dimethyl-4-nitropyrazole?
The IUPAC name of 3-ethyl-1,5-dimethyl-4-nitropyrazole (CID 89037224) is 3-ethyl-1,5-dimethyl-4-nitropyrazole.
What is the SMILES notation for 3-ethyl-1,5-dimethyl-4-nitropyrazole?
The canonical SMILES for 3-ethyl-1,5-dimethyl-4-nitropyrazole is CCc1nn(C)c(C)c1[N+](=O)[O-].
What is the InChIKey of 3-ethyl-1,5-dimethyl-4-nitropyrazole?
The InChIKey is XEIAKVVXHXTOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-6-7(10(11)12)5(2)9(3)8-6/h4H2,1-3H3.
What are the key properties of 3-ethyl-1,5-dimethyl-4-nitropyrazole?
3-ethyl-1,5-dimethyl-4-nitropyrazole has a molecular weight of 169.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5-dimethyl-4-nitropyrazole is sourced from PubChem (CID 89037224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).