1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide

C24H19FN4O3 — CID 1053304

IUPAC1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C24H19FN4O3/c1-15-7-8-16(2)22(13-15)28-23(24(30)26-20-6-4-3-5-19(20)25)14-21(27-28)17-9-11-18(12-10-17)29(31)32/h3-14H,1-2H3,(H,26,30)
InChIKeyFDOPGWLFWHVSBC-UHFFFAOYSA-N
MW430.44 g/mol
LogP5.46
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide

1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide (PubChem CID 1053304) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
PubChem CID1053304
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C24H19FN4O3/c1-15-7-8-16(2)22(13-15)28-23(24(30)26-20-6-4-3-5-19(20)25)14-21(27-28)17-9-11-18(12-10-17)29(31)32/h3-14H,1-2H3,(H,26,30)
InChIKeyFDOPGWLFWHVSBC-UHFFFAOYSA-N
XLogP5.46
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.44
LogP ≤ 55.46
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'}

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Related Compounds

N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3271382
N-butan-2-yl-1-(2,5-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3294656
1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide
CID 3957723
N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 42758287
N-tert-butyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3881945
(4-benzhydrylpiperazin-1-yl)-[1-(2,5-dimethylphenyl)-3-(4-nitrophenyl)pyrazol-5-yl]methanone
CID 5097283
N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 4292029
N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755261
N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754685
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 42754711
3-(3,4-dimethylphenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3541838
1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5195626

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide (CID 1053304) is 1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide is Cc1ccc(C)c(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The InChIKey is FDOPGWLFWHVSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-15-7-8-16(2)22(13-15)28-23(24(30)26-20-6-4-3-5-19(20)25)14-21(27-28)17-9-11-18(12-10-17)29(31)32/h3-14H,1-2H3,(H,26,30).
What are the key properties of 1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1053304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).