3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide

C22H15FN4O3 — CID 4114034

IUPAC3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H15FN4O3/c23-16-12-10-15(11-13-16)21-18(14-26(25-21)17-6-2-1-3-7-17)22(28)24-19-8-4-5-9-20(19)27(29)30/h1-14H,(H,24,28)
InChIKeyVETPKLJYBNZYKT-UHFFFAOYSA-N
MW402.39 g/mol
LogP4.84
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 4114034) has the molecular formula C22H15FN4O3 and a molecular weight of 402.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID4114034
Molecular FormulaC22H15FN4O3
Molecular Weight402.39 g/mol
Exact Mass402.11
IUPAC Name3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H15FN4O3/c23-16-12-10-15(11-13-16)21-18(14-26(25-21)17-6-2-1-3-7-17)22(28)24-19-8-4-5-9-20(19)27(29)30/h1-14H,(H,24,28)
InChIKeyVETPKLJYBNZYKT-UHFFFAOYSA-N
XLogP4.84
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 54.84
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-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150344989
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 166791968
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19281225
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55344475
3-(1-adamantyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 5241852
N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 38438530

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide (CID 4114034) is 3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is VETPKLJYBNZYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O3/c23-16-12-10-15(11-13-16)21-18(14-26(25-21)17-6-2-1-3-7-17)22(28)24-19-8-4-5-9-20(19)27(29)30/h1-14H,(H,24,28).
What are the key properties of 3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 402.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 4114034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).