2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole

C11H12N4O4 — CID 121223894

IUPAC2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole
SMILESCCC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H12N4O4/c1-2-8-5-6-13(12-8)10-4-3-9(14(16)17)7-11(10)15(18)19/h3-4,7H,2,5-6H2,1H3
InChIKeyDPLWNZVHVFRJGV-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.48
Rot. Bonds4

About 2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole

2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole (PubChem CID 121223894) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole
PubChem CID121223894
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole
SMILESCCC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H12N4O4/c1-2-8-5-6-13(12-8)10-4-3-9(14(16)17)7-11(10)15(18)19/h3-4,7H,2,5-6H2,1H3
InChIKeyDPLWNZVHVFRJGV-UHFFFAOYSA-N
XLogP2.48
TPSA101.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Nitramine
CID 10178
2-Butanone, (2,4-dinitrophenyl)hydrazone
CID 9562263
N-ethyl-2,4-dinitroaniline
CID 77454
1-(2,4-Dinitrophenyl)piperidine
CID 225454
N,N-Diethyl-2,4-dinitroaniline
CID 70045
N-Butyl-2,4-dinitroaniline
CID 260939
3-Pentanone, (2,4-dinitrophenyl)hydrazone
CID 219591
(2,4-Dinitrophenyl)ethylenediamine
CID 168833
1-(2,4-Dinitrophenyl)-1-methylhydrazine
CID 261500
N,N-dimethyl-2,4,6-trinitroaniline
CID 75610
N,N-Dimethyl-3,4-dinitroaniline
CID 252481
1-(2,4-Dinitrophenyl)pyrrolidine
CID 292548

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole?
The IUPAC name of 2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole (CID 121223894) is 2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole is CCC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole?
The InChIKey is DPLWNZVHVFRJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-2-8-5-6-13(12-8)10-4-3-9(14(16)17)7-11(10)15(18)19/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole?
2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole has a molecular weight of 264.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-5-ethyl-3,4-dihydropyrazole is sourced from PubChem (CID 121223894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).