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

C10H10N4O2 — CID 50999869

IUPAC5-methyl-1-(4-nitrophenyl)pyrazol-3-amine
SMILESCc1cc(N)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N4O2/c1-7-6-10(11)12-13(7)8-2-4-9(5-3-8)14(15)16/h2-6H,1H3,(H2,11,12)
InChIKeyOGVIUDSMTSOFFU-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.67
Rot. Bonds2

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

5-methyl-1-(4-nitrophenyl)pyrazol-3-amine (PubChem CID 50999869) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-methyl-1-(4-nitrophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-(4-nitrophenyl)pyrazol-3-amine
PubChem CID50999869
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-methyl-1-(4-nitrophenyl)pyrazol-3-amine
SMILESCc1cc(N)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N4O2/c1-7-6-10(11)12-13(7)8-2-4-9(5-3-8)14(15)16/h2-6H,1H3,(H2,11,12)
InChIKeyOGVIUDSMTSOFFU-UHFFFAOYSA-N
XLogP1.67
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.67
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'}

Analyze 5-methyl-1-(4-nitrophenyl)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

Related Compounds

1-(3-fluoro-5-nitrophenyl)-5-methylpyrazol-3-amine
CID 107335746
1-(2-chloro-4-nitrophenyl)-5-methylpyrazol-3-amine
CID 102942628
1-(4-fluoro-3-nitrophenyl)-5-methylpyrazol-3-amine
CID 102942610
3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole
CID 132606811
1-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]ethanone
CID 121001716
4-(3-amino-5-methylpyrazol-1-yl)benzonitrile
CID 46705137
5-methyl-1-(4-phenylphenyl)pyrazol-3-amine
CID 102942821
5-methyl-1-(4-methyl-2-nitrophenyl)pyrazol-3-amine
CID 50999986
5-methyl-1-(4-methylphenyl)-3-nitropyrazole
CID 46924229
3-(2,2-dimethylpropyl)-1-(4-nitrophenyl)pyrazol-5-amine
CID 61212313
5-ethenyl-3-methyl-1-(4-nitrophenyl)pyrazole
CID 15439117
4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide
CID 4862138

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-nitrophenyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-1-(4-nitrophenyl)pyrazol-3-amine (CID 50999869) is 5-methyl-1-(4-nitrophenyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-(4-nitrophenyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-(4-nitrophenyl)pyrazol-3-amine is Cc1cc(N)nn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-methyl-1-(4-nitrophenyl)pyrazol-3-amine?
The InChIKey is OGVIUDSMTSOFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-6-10(11)12-13(7)8-2-4-9(5-3-8)14(15)16/h2-6H,1H3,(H2,11,12).
What are the key properties of 5-methyl-1-(4-nitrophenyl)pyrazol-3-amine?
5-methyl-1-(4-nitrophenyl)pyrazol-3-amine has a molecular weight of 218.22 g/mol, XLogP of 1.67, 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-nitrophenyl)pyrazol-3-amine is sourced from PubChem (CID 50999869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).