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

C7H9N3O2 — CID 13498185

IUPAC1-ethenyl-3,5-dimethyl-4-nitropyrazole
SMILESC=Cn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C7H9N3O2/c1-4-9-6(3)7(10(11)12)5(2)8-9/h4H,1H2,2-3H3
InChIKeyFGUSWKFZEXMPOO-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.51
Rot. Bonds2

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

1-ethenyl-3,5-dimethyl-4-nitropyrazole (PubChem CID 13498185) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-ethenyl-3,5-dimethyl-4-nitropyrazole.

Molecular Properties

Compound Name1-ethenyl-3,5-dimethyl-4-nitropyrazole
PubChem CID13498185
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-ethenyl-3,5-dimethyl-4-nitropyrazole
SMILESC=Cn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C7H9N3O2/c1-4-9-6(3)7(10(11)12)5(2)8-9/h4H,1H2,2-3H3
InChIKeyFGUSWKFZEXMPOO-UHFFFAOYSA-N
XLogP1.51
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.51
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

1,3,5-Trimethyl-4-nitro-1H-pyrazole
CID 121019
1‐isopropyl‐3,5‐dimethyl‐4‐nitrosopyrazole (Substrate 9)
CID 2827603
2-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)acetaldehyde oxime
CID 9583526
2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)acetaldehyde O-methyloxime
CID 9581625
1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile
CID 96507
2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine
CID 2805422
Cyanoimino-oxido-(1,3,5-trimethylpyrazol-4-yl)azanium
CID 54584834
(E)-2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine
CID 5713969
1,5-Dimethyl-4-nitro-1H-pyrazole
CID 544647
1,3,5-Trimethyl-4-nitrosopyrazole
CID 15669009
1-(Difluoromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
CID 2060833
N-[2-(1,5-dimethyl-4-nitropyrazol-3-yl)ethylidene]hydroxylamine
CID 2805423

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,5-dimethyl-4-nitropyrazole?
The IUPAC name of 1-ethenyl-3,5-dimethyl-4-nitropyrazole (CID 13498185) is 1-ethenyl-3,5-dimethyl-4-nitropyrazole.
What is the SMILES notation for 1-ethenyl-3,5-dimethyl-4-nitropyrazole?
The canonical SMILES for 1-ethenyl-3,5-dimethyl-4-nitropyrazole is C=Cn1nc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 1-ethenyl-3,5-dimethyl-4-nitropyrazole?
The InChIKey is FGUSWKFZEXMPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-9-6(3)7(10(11)12)5(2)8-9/h4H,1H2,2-3H3.
What are the key properties of 1-ethenyl-3,5-dimethyl-4-nitropyrazole?
1-ethenyl-3,5-dimethyl-4-nitropyrazole has a molecular weight of 167.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,5-dimethyl-4-nitropyrazole is sourced from PubChem (CID 13498185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).