1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole

C10H7F2N3O2 — CID 75357814

IUPAC1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(Cc2ccc(F)cc2F)c1
InChIInChI=1S/C10H7F2N3O2/c11-8-2-1-7(10(12)3-8)5-14-6-9(4-13-14)15(16)17/h1-4,6H,5H2
InChIKeyCWHFTTJOYAXWOZ-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.12
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole

1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole (PubChem CID 75357814) has the molecular formula C10H7F2N3O2 and a molecular weight of 239.18 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole
PubChem CID75357814
Molecular FormulaC10H7F2N3O2
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC Name1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(Cc2ccc(F)cc2F)c1
InChIInChI=1S/C10H7F2N3O2/c11-8-2-1-7(10(12)3-8)5-14-6-9(4-13-14)15(16)17/h1-4,6H,5H2
InChIKeyCWHFTTJOYAXWOZ-UHFFFAOYSA-N
XLogP2.12
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.12
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-[(2,4-difluorophenyl)methyl]-4-nitropyrazole?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole (CID 75357814) is 1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole is O=[N+]([O-])c1cnn(Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole?
The InChIKey is CWHFTTJOYAXWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2/c11-8-2-1-7(10(12)3-8)5-14-6-9(4-13-14)15(16)17/h1-4,6H,5H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole?
1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole has a molecular weight of 239.18 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-4-nitropyrazole is sourced from PubChem (CID 75357814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).