N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine

C10H9FN4O2 — CID 3122361

IUPACN-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C10H9FN4O2/c1-6-9(15(16)17)10(14-13-6)12-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,13,14)
InChIKeyBHSANPZGIFEZKO-UHFFFAOYSA-N
MW236.21 g/mol
LogP2.51
Rot. Bonds3

About N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine

N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine (PubChem CID 3122361) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
PubChem CID3122361
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC NameN-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(Nc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C10H9FN4O2/c1-6-9(15(16)17)10(14-13-6)12-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,13,14)
InChIKeyBHSANPZGIFEZKO-UHFFFAOYSA-N
XLogP2.51
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 52.51
H-Bond Donors ≤ 52
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 N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The IUPAC name of N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine (CID 3122361) is N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine.
What is the SMILES notation for N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The canonical SMILES for N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine is Cc1[nH]nc(Nc2ccccc2F)c1[N+](=O)[O-].
What is the InChIKey of N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
The InChIKey is BHSANPZGIFEZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-6-9(15(16)17)10(14-13-6)12-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,13,14).
What are the key properties of N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine?
N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine has a molecular weight of 236.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine is sourced from PubChem (CID 3122361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).