5-(3-nitrophenyl)-1H-pyrazol-3-amine

C9H8N4O2 — CID 3732106

IUPAC5-(3-nitrophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1
InChIInChI=1S/C9H8N4O2/c10-9-5-8(11-12-9)6-2-1-3-7(4-6)13(14)15/h1-5H,(H3,10,11,12)
InChIKeyTWOZXWGNMBEDKH-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.57
Rot. Bonds2

About 5-(3-nitrophenyl)-1H-pyrazol-3-amine

5-(3-nitrophenyl)-1H-pyrazol-3-amine (PubChem CID 3732106) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-nitrophenyl)-1H-pyrazol-3-amine
PubChem CID3732106
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name5-(3-nitrophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1
InChIInChI=1S/C9H8N4O2/c10-9-5-8(11-12-9)6-2-1-3-7(4-6)13(14)15/h1-5H,(H3,10,11,12)
InChIKeyTWOZXWGNMBEDKH-UHFFFAOYSA-N
XLogP1.57
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.57
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'}

Analyze 5-(3-nitrophenyl)-1H-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 5-(3-nitrophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-nitrophenyl)-1H-pyrazol-3-amine (CID 3732106) is 5-(3-nitrophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-nitrophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-nitrophenyl)-1H-pyrazol-3-amine is Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1.
What is the InChIKey of 5-(3-nitrophenyl)-1H-pyrazol-3-amine?
The InChIKey is TWOZXWGNMBEDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-9-5-8(11-12-9)6-2-1-3-7(4-6)13(14)15/h1-5H,(H3,10,11,12).
What are the key properties of 5-(3-nitrophenyl)-1H-pyrazol-3-amine?
5-(3-nitrophenyl)-1H-pyrazol-3-amine has a molecular weight of 204.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 3732106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).