N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide

C23H18N4O3 — CID 42758287

IUPACN-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H18N4O3/c1-16-7-9-18(10-8-16)24-23(28)22-15-21(17-5-3-2-4-6-17)25-26(22)19-11-13-20(14-12-19)27(29)30/h2-15H,1H3,(H,24,28)
InChIKeyFTGSVETYHCYNHL-UHFFFAOYSA-N
MW398.42 g/mol
LogP5.01
Rot. Bonds5

About N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide

N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide (PubChem CID 42758287) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
PubChem CID42758287
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H18N4O3/c1-16-7-9-18(10-8-16)24-23(28)22-15-21(17-5-3-2-4-6-17)25-26(22)19-11-13-20(14-12-19)27(29)30/h2-15H,1H3,(H,24,28)
InChIKeyFTGSVETYHCYNHL-UHFFFAOYSA-N
XLogP5.01
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.01
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 N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide 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

N-[(2R)-3-methylbutan-2-yl]-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 7397683
3-(3,4-dimethylphenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3541838
1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 4638093
N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3271382
3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3977043
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4264270
1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 1053304
N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 771732
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 2650045
5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19473299
3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide
CID 4015371

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide (CID 42758287) is N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide?
The InChIKey is FTGSVETYHCYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-16-7-9-18(10-8-16)24-23(28)22-15-21(17-5-3-2-4-6-17)25-26(22)19-11-13-20(14-12-19)27(29)30/h2-15H,1H3,(H,24,28).
What are the key properties of N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide?
N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 42758287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).