5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol

C16H13N3O3 — CID 15026182

IUPAC5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol
SMILESCc1c(O)c(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1
InChIInChI=1S/C16H13N3O3/c1-11-16(20)15(12-7-9-14(10-8-12)19(21)22)17-18(11)13-5-3-2-4-6-13/h2-10,20H,1H3
InChIKeyIYNBJPNDODIPEU-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.46
Rot. Bonds3

About 5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol

5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol (PubChem CID 15026182) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol.

Molecular Properties

Compound Name5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol
PubChem CID15026182
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol
SMILESCc1c(O)c(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1
InChIInChI=1S/C16H13N3O3/c1-11-16(20)15(12-7-9-14(10-8-12)19(21)22)17-18(11)13-5-3-2-4-6-13/h2-10,20H,1H3
InChIKeyIYNBJPNDODIPEU-UHFFFAOYSA-N
XLogP3.46
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.46
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-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol 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

5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19473299
3-methyl-5-(4-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid
CID 15448847
3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
CID 10215228
[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-phenylmethanone
CID 10734536
1-(4-nitrophenyl)-3,4,5-triphenylpyrazole
CID 59515058
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 25136488
5-hydroxy-2-methyl-4-nitro-6-(4-nitrophenyl)pyridazin-3-one
CID 110273027
5-(4-nitrophenyl)-1-phenylpyrazole-3-carboxylic acid
CID 2771356
N-(2-hydroxy-5-nitrophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477769
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
5-methyl-3-nitro-1,4-diphenylpyrazole
CID 145048719

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol?
The IUPAC name of 5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol (CID 15026182) is 5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol.
What is the SMILES notation for 5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol?
The canonical SMILES for 5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol is Cc1c(O)c(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol?
The InChIKey is IYNBJPNDODIPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-11-16(20)15(12-7-9-14(10-8-12)19(21)22)17-18(11)13-5-3-2-4-6-13/h2-10,20H,1H3.
What are the key properties of 5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol?
5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol has a molecular weight of 295.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol is sourced from PubChem (CID 15026182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).