5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine

C11H12N4O2 — CID 50999986

IUPAC5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine
SMILESCc1ccc(-n2nc(N)cc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N4O2/c1-7-3-4-9(10(5-7)15(16)17)14-8(2)6-11(12)13-14/h3-6H,1-2H3,(H2,12,13)
InChIKeyGHIFZJZZTNTUNQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.98
Rot. Bonds2

About 5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine

5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine (PubChem CID 50999986) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine
PubChem CID50999986
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine
SMILESCc1ccc(-n2nc(N)cc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N4O2/c1-7-3-4-9(10(5-7)15(16)17)14-8(2)6-11(12)13-14/h3-6H,1-2H3,(H2,12,13)
InChIKeyGHIFZJZZTNTUNQ-UHFFFAOYSA-N
XLogP1.98
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.98
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'}

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Related Compounds

1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
1-(2-chloro-4-nitrophenyl)-5-methylpyrazol-3-amine
CID 102942628
5-amino-1-(4-methyl-2-nitrophenyl)triazole-4-carboxamide
CID 10539377
1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine
CID 102942610
5-methyl-1-(4-nitrophenyl)pyrazol-3-amine
CID 50999869
4-methyl-2-nitrophenolate
CID 6989903
sodium 4-methyl-2-nitrophenolate
CID 12989561
1-(4-methyl-2-nitrophenyl)pyrrole-2,5-dione
CID 2834581
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-3-nitrobenzamide
CID 58443624
[1-(4-methyl-2-nitrophenyl)triazol-4-yl]methanamine
CID 62055823
(3aS,4S,7S,7aS)-4,7-dimethyl-2-(4-methyl-2-nitrophenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 98067980
5-acetyl-1-(4-methyl-2-nitrophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 110459215

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine (CID 50999986) is 5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine is Cc1ccc(-n2nc(N)cc2C)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine?
The InChIKey is GHIFZJZZTNTUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-3-4-9(10(5-7)15(16)17)14-8(2)6-11(12)13-14/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine?
5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine has a molecular weight of 232.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine is sourced from PubChem (CID 50999986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).