1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine

C11H12N4O2 — CID 43543829

IUPAC1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine
SMILESCc1cc(Nc2cnn(C)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O2/c1-8-5-9(3-4-11(8)15(16)17)13-10-6-12-14(2)7-10/h3-7,13H,1-2H3
InChIKeyLLORKJOFKNJWBH-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.38
Rot. Bonds3

About 1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine

1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine (PubChem CID 43543829) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine
PubChem CID43543829
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine
SMILESCc1cc(Nc2cnn(C)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O2/c1-8-5-9(3-4-11(8)15(16)17)13-10-6-12-14(2)7-10/h3-7,13H,1-2H3
InChIKeyLLORKJOFKNJWBH-UHFFFAOYSA-N
XLogP2.38
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.38
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-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine
CID 106748992
N-(3-methyl-4-nitrophenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 75524371
N-(3-methyl-4-nitrophenyl)pyrimidin-2-amine
CID 125475479
(2R)-N-(3-methyl-4-nitrophenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 99698166
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
CID 63671776
N-(2,4-dimethylphenyl)-1-methylpyrazol-4-amine
CID 125449684
N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide
CID 87044112
N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
CID 133389844
N-(3-methoxy-4-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 63669987
2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 79770383
1,1-dimethyl-2-(3-methyl-4-nitrophenyl)hydrazine
CID 54538620
3-methyl-4-nitro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66131177

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine (CID 43543829) is 1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine is Cc1cc(Nc2cnn(C)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine?
The InChIKey is LLORKJOFKNJWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8-5-9(3-4-11(8)15(16)17)13-10-6-12-14(2)7-10/h3-7,13H,1-2H3.
What are the key properties of 1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine?
1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine has a molecular weight of 232.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine is sourced from PubChem (CID 43543829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).