3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine

C11H12N4O2 — CID 134405647

IUPAC3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
SMILESCc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1N
InChIInChI=1S/C11H12N4O2/c1-7-11(12)8(2)14(13-7)9-5-3-4-6-10(9)15(16)17/h3-6H,12H2,1-2H3
InChIKeyFIQVVJQFVNIERE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.98
Rot. Bonds2

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

3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine (PubChem CID 134405647) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
PubChem CID134405647
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
SMILESCc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1N
InChIInChI=1S/C11H12N4O2/c1-7-11(12)8(2)14(13-7)9-5-3-4-6-10(9)15(16)17/h3-6H,12H2,1-2H3
InChIKeyFIQVVJQFVNIERE-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

N-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]-2-hydroxyacetamide
CID 142318440
2-(2-nitrophenyl)pyrazol-3-amine
CID 10375626
ethyl 4,5-dimethyl-2-(2-nitrophenyl)pyrazole-3-carboxylate
CID 70085916
3,5-dimethyl-1-(2-methylphenyl)-4-nitropyrazole
CID 50887934
1-[5-methyl-1-(2-nitrophenyl)pyrazol-4-yl]ethanamine
CID 43209038
1-(2-nitrophenyl)-5-propyltriazol-4-amine
CID 79508399
4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole
CID 65343683
methyl 5-methyl-2-(2-nitrophenyl)triazole-4-carboxylate
CID 155933269
4-amino-6-imino-1-(2-nitrophenyl)pyridazine-3,5-dicarbonitrile
CID 616643
4-bromo-1-(4-iodo-2-nitrophenyl)-3,5-dimethylpyrazole
CID 66081126
4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one
CID 101357762
1-(3-fluoro-2-nitrophenyl)-3,4,5-trimethylpyrazole
CID 62690850

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine (CID 134405647) is 3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine is Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine?
The InChIKey is FIQVVJQFVNIERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-11(12)8(2)14(13-7)9-5-3-4-6-10(9)15(16)17/h3-6H,12H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine?
3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-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 3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine is sourced from PubChem (CID 134405647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).