4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine

C16H14N4O2 — CID 2764842

IUPAC4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine
SMILESCc1cccc(-c2cnn(-c3cccc([N+](=O)[O-])c3)c2N)c1
InChIInChI=1S/C16H14N4O2/c1-11-4-2-5-12(8-11)15-10-18-19(16(15)17)13-6-3-7-14(9-13)20(21)22/h2-10H,17H2,1H3
InChIKeyWVDQHXSZISXARL-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.34
Rot. Bonds3

About 4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine

4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine (PubChem CID 2764842) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine
PubChem CID2764842
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine
SMILESCc1cccc(-c2cnn(-c3cccc([N+](=O)[O-])c3)c2N)c1
InChIInChI=1S/C16H14N4O2/c1-11-4-2-5-12(8-11)15-10-18-19(16(15)17)13-6-3-7-14(9-13)20(21)22/h2-10H,17H2,1H3
InChIKeyWVDQHXSZISXARL-UHFFFAOYSA-N
XLogP3.34
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.34
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 4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-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 4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine?
The IUPAC name of 4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine (CID 2764842) is 4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine.
What is the SMILES notation for 4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine?
The canonical SMILES for 4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine is Cc1cccc(-c2cnn(-c3cccc([N+](=O)[O-])c3)c2N)c1.
What is the InChIKey of 4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine?
The InChIKey is WVDQHXSZISXARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-4-2-5-12(8-11)15-10-18-19(16(15)17)13-6-3-7-14(9-13)20(21)22/h2-10H,17H2,1H3.
What are the key properties of 4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine?
4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine has a molecular weight of 294.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-(3-nitrophenyl)pyrazol-5-amine is sourced from PubChem (CID 2764842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).