3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine

C16H14N4O5S — CID 46257924

IUPAC3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C16H14N4O5S/c1-25-13-6-2-11(3-7-13)15-10-16(17)19(18-15)26(23,24)14-8-4-12(5-9-14)20(21)22/h2-10H,17H2,1H3
InChIKeyWGSBPMUOZPOXCC-UHFFFAOYSA-N
MW374.38 g/mol
LogP2.29
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine

3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine (PubChem CID 46257924) has the molecular formula C16H14N4O5S and a molecular weight of 374.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
PubChem CID46257924
Molecular FormulaC16H14N4O5S
Molecular Weight374.38 g/mol
Exact Mass374.07
IUPAC Name3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C16H14N4O5S/c1-25-13-6-2-11(3-7-13)15-10-16(17)19(18-15)26(23,24)14-8-4-12(5-9-14)20(21)22/h2-10H,17H2,1H3
InChIKeyWGSBPMUOZPOXCC-UHFFFAOYSA-N
XLogP2.29
TPSA130.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-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

3-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257909
1-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazol-5-amine
CID 20873615
1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
CID 20873558
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 4-nitrobenzoate
CID 4124103
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 20867089
1-(benzenesulfonyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 126458326
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 12531782
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 4-nitrobenzoate
CID 4164187
3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
CID 91872028
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 2-nitrobenzoate
CID 45485589
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine (CID 46257924) is 3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine is COc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine?
The InChIKey is WGSBPMUOZPOXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S/c1-25-13-6-2-11(3-7-13)15-10-16(17)19(18-15)26(23,24)14-8-4-12(5-9-14)20(21)22/h2-10H,17H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine?
3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine has a molecular weight of 374.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine is sourced from PubChem (CID 46257924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).