1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide

C23H14FN5O3 — CID 166792000

IUPAC1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide
SMILESN#Cc1ccc(-n2cc(C(=O)Nc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C23H14FN5O3/c24-17-2-1-3-18(12-17)26-23(30)21-14-28(19-8-4-15(13-25)5-9-19)27-22(21)16-6-10-20(11-7-16)29(31)32/h1-12,14H,(H,26,30)
InChIKeyCSFUPYIIPHTGEO-UHFFFAOYSA-N
MW427.40 g/mol
LogP4.71
Rot. Bonds5

About 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide

1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide (PubChem CID 166792000) has the molecular formula C23H14FN5O3 and a molecular weight of 427.40 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide
PubChem CID166792000
Molecular FormulaC23H14FN5O3
Molecular Weight427.40 g/mol
Exact Mass427.11
IUPAC Name1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide
SMILESN#Cc1ccc(-n2cc(C(=O)Nc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C23H14FN5O3/c24-17-2-1-3-18(12-17)26-23(30)21-14-28(19-8-4-15(13-25)5-9-19)27-22(21)16-6-10-20(11-7-16)29(31)32/h1-12,14H,(H,26,30)
InChIKeyCSFUPYIIPHTGEO-UHFFFAOYSA-N
XLogP4.71
TPSA113.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 131955137
N-(3-chlorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 151307520
1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792113
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 166792153
N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150344989
N-(4-acetylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 1287887
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 70694214
3-[4-(2,2-dichloroacetyl)phenyl]-N-(3-fluorophenyl)-1-(4-isocyanophenyl)pyrazole-4-carboxamide
CID 159828188
N-(3-carbamoyl-4-fluorophenyl)-3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 167974587
3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 4114034

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide (CID 166792000) is 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide is N#Cc1ccc(-n2cc(C(=O)Nc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide?
The InChIKey is CSFUPYIIPHTGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN5O3/c24-17-2-1-3-18(12-17)26-23(30)21-14-28(19-8-4-15(13-25)5-9-19)27-22(21)16-6-10-20(11-7-16)29(31)32/h1-12,14H,(H,26,30).
What are the key properties of 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide?
1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide has a molecular weight of 427.40 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166792000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).