1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine

C10H9FN4O2 — CID 102942610

IUPAC1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1-c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9FN4O2/c1-6-4-10(12)13-14(6)7-2-3-8(11)9(5-7)15(16)17/h2-5H,1H3,(H2,12,13)
InChIKeyCJSSREZZIILDDR-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.81
Rot. Bonds2

About 1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine

1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine (PubChem CID 102942610) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine
PubChem CID102942610
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1-c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9FN4O2/c1-6-4-10(12)13-14(6)7-2-3-8(11)9(5-7)15(16)17/h2-5H,1H3,(H2,12,13)
InChIKeyCJSSREZZIILDDR-UHFFFAOYSA-N
XLogP1.81
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.81
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'}

Analyze 1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-3-nitrophenyl)-5-methyltriazol-4-amine
CID 79508285
1-(3-fluoro-5-nitrophenyl)-5-methylpyrazol-3-amine
CID 107335746
5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine
CID 50999986
1-(4-fluoro-3-nitrophenyl)-4-methyltetrazol-5-one
CID 58287202
1-(4-fluoro-3-nitrophenyl)imidazole
CID 139799498
1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione
CID 2783302
1-(2-chloro-4-nitrophenyl)-5-methylpyrazol-3-amine
CID 102942628
5-(2-chlorophenyl)-1-(4-fluoro-3-nitrophenyl)-1,2,4-triazole
CID 3599738
1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102943044
1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine
CID 102943043
1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one
CID 115370462
N-[[1-(4-fluoro-3-nitrophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62735419

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine (CID 102942610) is 1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine is Cc1cc(N)nn1-c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine?
The InChIKey is CJSSREZZIILDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-6-4-10(12)13-14(6)7-2-3-8(11)9(5-7)15(16)17/h2-5H,1H3,(H2,12,13).
What are the key properties of 1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine?
1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine has a molecular weight of 236.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 102942610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).