1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine

C9H7FN4O2 — CID 102943043

IUPAC1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2ccc([N+](=O)[O-])c(F)c2)n1
InChIInChI=1S/C9H7FN4O2/c10-7-5-6(1-2-8(7)14(15)16)13-4-3-9(11)12-13/h1-5H,(H2,11,12)
InChIKeyLJXFVQXQQBUFFB-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.50
Rot. Bonds2

About 1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine

1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine (PubChem CID 102943043) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine
PubChem CID102943043
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2ccc([N+](=O)[O-])c(F)c2)n1
InChIInChI=1S/C9H7FN4O2/c10-7-5-6(1-2-8(7)14(15)16)13-4-3-9(11)12-13/h1-5H,(H2,11,12)
InChIKeyLJXFVQXQQBUFFB-UHFFFAOYSA-N
XLogP1.50
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102943044
N-[[1-(3-fluoro-4-nitrophenyl)pyrazol-3-yl]methyl]propan-1-amine
CID 82844452
[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]methanamine
CID 82844757
1-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 102942591
2-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]ethanol
CID 82843995
3-methyl-1-(3-methylsulfanyl-4-nitrophenyl)pyrazole
CID 134507873
[1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol
CID 79767408
1-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106227272
1-(3-bromo-4-chlorophenyl)pyrazol-3-amine
CID 102942955
1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole
CID 170646036
methyl 1-(4-fluoro-3-nitrophenyl)-4-oxopyridazine-3-carboxylate
CID 63981311
1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine
CID 102942610

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine?
The IUPAC name of 1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine (CID 102943043) is 1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine is Nc1ccn(-c2ccc([N+](=O)[O-])c(F)c2)n1.
What is the InChIKey of 1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine?
The InChIKey is LJXFVQXQQBUFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-7-5-6(1-2-8(7)14(15)16)13-4-3-9(11)12-13/h1-5H,(H2,11,12).
What are the key properties of 1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine?
1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine has a molecular weight of 222.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine is sourced from PubChem (CID 102943043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).