1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine

C13H16N4O2 — CID 90480930

IUPAC1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine
SMILESCCn1cc([N+](=O)[O-])c(NCCc2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-2-16-10-12(17(18)19)13(15-16)14-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,14,15)
InChIKeyQJJGSBIARPZHLI-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.47
Rot. Bonds6

About 1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine

1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine (PubChem CID 90480930) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine
PubChem CID90480930
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine
SMILESCCn1cc([N+](=O)[O-])c(NCCc2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-2-16-10-12(17(18)19)13(15-16)14-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,14,15)
InChIKeyQJJGSBIARPZHLI-UHFFFAOYSA-N
XLogP2.47
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.47
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-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine?
The IUPAC name of 1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine (CID 90480930) is 1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine?
The canonical SMILES for 1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine is CCn1cc([N+](=O)[O-])c(NCCc2ccccc2)n1.
What is the InChIKey of 1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine?
The InChIKey is QJJGSBIARPZHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-16-10-12(17(18)19)13(15-16)14-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine?
1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine has a molecular weight of 260.30 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-nitro-N-(2-phenylethyl)pyrazol-3-amine is sourced from PubChem (CID 90480930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).