1-(difluoromethyl)-4-nitropyrazole

C4H3F2N3O2 — CID 7017245

IUPAC1-(difluoromethyl)-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(C(F)F)c1
InChIInChI=1S/C4H3F2N3O2/c5-4(6)8-2-3(1-7-8)9(10)11/h1-2,4H
InChIKeyVCURCUIEDUUUEA-UHFFFAOYSA-N
MW163.08 g/mol
LogP1.19
Rot. Bonds2

About 1-(difluoromethyl)-4-nitropyrazole

1-(difluoromethyl)-4-nitropyrazole (PubChem CID 7017245) has the molecular formula C4H3F2N3O2 and a molecular weight of 163.08 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-nitropyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-nitropyrazole
PubChem CID7017245
Molecular FormulaC4H3F2N3O2
Molecular Weight163.08 g/mol
Exact Mass163.02
IUPAC Name1-(difluoromethyl)-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(C(F)F)c1
InChIInChI=1S/C4H3F2N3O2/c5-4(6)8-2-3(1-7-8)9(10)11/h1-2,4H
InChIKeyVCURCUIEDUUUEA-UHFFFAOYSA-N
XLogP1.19
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.08
LogP ≤ 51.19
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)-4-nitropyrazole?
The IUPAC name of 1-(difluoromethyl)-4-nitropyrazole (CID 7017245) is 1-(difluoromethyl)-4-nitropyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-nitropyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-nitropyrazole is O=[N+]([O-])c1cnn(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-4-nitropyrazole?
The InChIKey is VCURCUIEDUUUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2N3O2/c5-4(6)8-2-3(1-7-8)9(10)11/h1-2,4H.
What are the key properties of 1-(difluoromethyl)-4-nitropyrazole?
1-(difluoromethyl)-4-nitropyrazole has a molecular weight of 163.08 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-nitropyrazole is sourced from PubChem (CID 7017245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).