N-fluoro-4-nitro-1-pentylpyrazol-5-amine

C8H13FN4O2 — CID 88665596

IUPACN-fluoro-4-nitro-1-pentylpyrazol-5-amine
SMILESCCCCCn1ncc([N+](=O)[O-])c1NF
InChIInChI=1S/C8H13FN4O2/c1-2-3-4-5-12-8(11-9)7(6-10-12)13(14)15/h6,11H,2-5H2,1H3
InChIKeyBXIFZDWFCFCAAV-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.28
Rot. Bonds6

About N-fluoro-4-nitro-1-pentylpyrazol-5-amine

N-fluoro-4-nitro-1-pentylpyrazol-5-amine (PubChem CID 88665596) has the molecular formula C8H13FN4O2 and a molecular weight of 216.22 g/mol. Its IUPAC name is N-fluoro-4-nitro-1-pentylpyrazol-5-amine.

Molecular Properties

Compound NameN-fluoro-4-nitro-1-pentylpyrazol-5-amine
PubChem CID88665596
Molecular FormulaC8H13FN4O2
Molecular Weight216.22 g/mol
Exact Mass216.10
IUPAC NameN-fluoro-4-nitro-1-pentylpyrazol-5-amine
SMILESCCCCCn1ncc([N+](=O)[O-])c1NF
InChIInChI=1S/C8H13FN4O2/c1-2-3-4-5-12-8(11-9)7(6-10-12)13(14)15/h6,11H,2-5H2,1H3
InChIKeyBXIFZDWFCFCAAV-UHFFFAOYSA-N
XLogP2.28
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'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 N-fluoro-4-nitro-1-pentylpyrazol-5-amine?
The IUPAC name of N-fluoro-4-nitro-1-pentylpyrazol-5-amine (CID 88665596) is N-fluoro-4-nitro-1-pentylpyrazol-5-amine.
What is the SMILES notation for N-fluoro-4-nitro-1-pentylpyrazol-5-amine?
The canonical SMILES for N-fluoro-4-nitro-1-pentylpyrazol-5-amine is CCCCCn1ncc([N+](=O)[O-])c1NF.
What is the InChIKey of N-fluoro-4-nitro-1-pentylpyrazol-5-amine?
The InChIKey is BXIFZDWFCFCAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O2/c1-2-3-4-5-12-8(11-9)7(6-10-12)13(14)15/h6,11H,2-5H2,1H3.
What are the key properties of N-fluoro-4-nitro-1-pentylpyrazol-5-amine?
N-fluoro-4-nitro-1-pentylpyrazol-5-amine has a molecular weight of 216.22 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-nitro-1-pentylpyrazol-5-amine is sourced from PubChem (CID 88665596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).