3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide

C19H18N4O3 — CID 43018544

IUPAC3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1
InChIInChI=1S/C19H18N4O3/c1-12-4-7-16(8-5-12)22-18(11-14(3)21-22)20-19(24)15-6-9-17(23(25)26)13(2)10-15/h4-11H,1-3H3,(H,20,24)
InChIKeyWVYMYKKOIHRGEU-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.96
Rot. Bonds4

About 3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide

3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide (PubChem CID 43018544) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide
PubChem CID43018544
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1
InChIInChI=1S/C19H18N4O3/c1-12-4-7-16(8-5-12)22-18(11-14(3)21-22)20-19(24)15-6-9-17(23(25)26)13(2)10-15/h4-11H,1-3H3,(H,20,24)
InChIKeyWVYMYKKOIHRGEU-UHFFFAOYSA-N
XLogP3.96
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.96
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 3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide 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-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrothiophene-2-carboxamide
CID 78852024
3,5-dimethyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55520402
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78837818
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 55508208
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55507983
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
4-methyl-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 41241902
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethylsulfonyl)benzamide
CID 55567376
N-(2,5-dimethylpyrazol-3-yl)-3-fluoro-4-nitrobenzamide
CID 62680904
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide?
The IUPAC name of 3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide (CID 43018544) is 3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide.
What is the SMILES notation for 3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide?
The canonical SMILES for 3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide is Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide?
The InChIKey is WVYMYKKOIHRGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-4-7-16(8-5-12)22-18(11-14(3)21-22)20-19(24)15-6-9-17(23(25)26)13(2)10-15/h4-11H,1-3H3,(H,20,24).
What are the key properties of 3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide?
3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide has a molecular weight of 350.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide is sourced from PubChem (CID 43018544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).