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

C18H16N4O3 — CID 25299287

IUPAC5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16N4O3/c1-12-8-9-14(10-17(12)22(24)25)20-18(23)16-11-19-21(13(16)2)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,23)
InChIKeyGJODVLWKJQWJPM-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.65
Rot. Bonds4

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

5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 25299287) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID25299287
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16N4O3/c1-12-8-9-14(10-17(12)22(24)25)20-18(23)16-11-19-21(13(16)2)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,23)
InChIKeyGJODVLWKJQWJPM-UHFFFAOYSA-N
XLogP3.65
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.65
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'}

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Related Compounds

N-(4-chloro-3-nitrophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804176
N-(4-chloro-2-nitrophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804190
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
1-methyl-5-[(4-methyl-3-nitrophenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 29095731
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791811
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108743569
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
5-methyl-1-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-4-carboxamide
CID 75495888
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide (CID 25299287) is 5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is GJODVLWKJQWJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12-8-9-14(10-17(12)22(24)25)20-18(23)16-11-19-21(13(16)2)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,23).
What are the key properties of 5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 25299287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).