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

C11H12N4O2 — CID 3122355

IUPAC5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine
SMILESCc1ccc(Nc2n[nH]c(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C11H12N4O2/c1-7-3-5-9(6-4-7)12-11-10(15(16)17)8(2)13-14-11/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyMYKCDAZEXCEWHK-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.68
Rot. Bonds3

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

5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine (PubChem CID 3122355) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine
PubChem CID3122355
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine
SMILESCc1ccc(Nc2n[nH]c(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C11H12N4O2/c1-7-3-5-9(6-4-7)12-11-10(15(16)17)8(2)13-14-11/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyMYKCDAZEXCEWHK-UHFFFAOYSA-N
XLogP2.68
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.68
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 5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine (CID 3122355) is 5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine is Cc1ccc(Nc2n[nH]c(C)c2[N+](=O)[O-])cc1.
What is the InChIKey of 5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine?
The InChIKey is MYKCDAZEXCEWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-3-5-9(6-4-7)12-11-10(15(16)17)8(2)13-14-11/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine?
5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine has a molecular weight of 232.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylphenyl)-4-nitro-1H-pyrazol-3-amine is sourced from PubChem (CID 3122355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).