1-benzyl-4-nitropyrazol-5-amine

C10H10N4O2 — CID 19437617

IUPAC1-benzyl-4-nitropyrazol-5-amine
SMILESNc1c([N+](=O)[O-])cnn1Cc1ccccc1
InChIInChI=1S/C10H10N4O2/c11-10-9(14(15)16)6-12-13(10)7-8-4-2-1-3-5-8/h1-6H,7,11H2
InChIKeyOROLNTPDLQCQGF-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.42
Rot. Bonds3

About 1-benzyl-4-nitropyrazol-5-amine

1-benzyl-4-nitropyrazol-5-amine (PubChem CID 19437617) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-benzyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-4-nitropyrazol-5-amine
PubChem CID19437617
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-benzyl-4-nitropyrazol-5-amine
SMILESNc1c([N+](=O)[O-])cnn1Cc1ccccc1
InChIInChI=1S/C10H10N4O2/c11-10-9(14(15)16)6-12-13(10)7-8-4-2-1-3-5-8/h1-6H,7,11H2
InChIKeyOROLNTPDLQCQGF-UHFFFAOYSA-N
XLogP1.42
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.42
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-benzyl-4-nitropyrazol-5-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-benzyl-4-nitropyrazol-5-amine?
The IUPAC name of 1-benzyl-4-nitropyrazol-5-amine (CID 19437617) is 1-benzyl-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-benzyl-4-nitropyrazol-5-amine?
The canonical SMILES for 1-benzyl-4-nitropyrazol-5-amine is Nc1c([N+](=O)[O-])cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-nitropyrazol-5-amine?
The InChIKey is OROLNTPDLQCQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-10-9(14(15)16)6-12-13(10)7-8-4-2-1-3-5-8/h1-6H,7,11H2.
What are the key properties of 1-benzyl-4-nitropyrazol-5-amine?
1-benzyl-4-nitropyrazol-5-amine has a molecular weight of 218.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 19437617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).