1-(difluoromethyl)-5-ethyl-3-nitropyrazole

C6H7F2N3O2 — CID 162721858

IUPAC1-(difluoromethyl)-5-ethyl-3-nitropyrazole
SMILESCCc1cc([N+](=O)[O-])nn1C(F)F
InChIInChI=1S/C6H7F2N3O2/c1-2-4-3-5(11(12)13)9-10(4)6(7)8/h3,6H,2H2,1H3
InChIKeyGGNGLMRTIYJXJD-UHFFFAOYSA-N
MW191.14 g/mol
LogP1.75
Rot. Bonds3

About 1-(difluoromethyl)-5-ethyl-3-nitropyrazole

1-(difluoromethyl)-5-ethyl-3-nitropyrazole (PubChem CID 162721858) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-ethyl-3-nitropyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-5-ethyl-3-nitropyrazole
PubChem CID162721858
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name1-(difluoromethyl)-5-ethyl-3-nitropyrazole
SMILESCCc1cc([N+](=O)[O-])nn1C(F)F
InChIInChI=1S/C6H7F2N3O2/c1-2-4-3-5(11(12)13)9-10(4)6(7)8/h3,6H,2H2,1H3
InChIKeyGGNGLMRTIYJXJD-UHFFFAOYSA-N
XLogP1.75
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 51.75
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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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-ethyl-3-nitropyrazole?
The IUPAC name of 1-(difluoromethyl)-5-ethyl-3-nitropyrazole (CID 162721858) is 1-(difluoromethyl)-5-ethyl-3-nitropyrazole.
What is the SMILES notation for 1-(difluoromethyl)-5-ethyl-3-nitropyrazole?
The canonical SMILES for 1-(difluoromethyl)-5-ethyl-3-nitropyrazole is CCc1cc([N+](=O)[O-])nn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-ethyl-3-nitropyrazole?
The InChIKey is GGNGLMRTIYJXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c1-2-4-3-5(11(12)13)9-10(4)6(7)8/h3,6H,2H2,1H3.
What are the key properties of 1-(difluoromethyl)-5-ethyl-3-nitropyrazole?
1-(difluoromethyl)-5-ethyl-3-nitropyrazole has a molecular weight of 191.14 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-ethyl-3-nitropyrazole is sourced from PubChem (CID 162721858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).