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

C23H17FN4O3 — CID 3271382

IUPACN-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C23H17FN4O3/c1-15-5-4-6-18(13-15)27-22(23(29)25-20-8-3-2-7-19(20)24)14-21(26-27)16-9-11-17(12-10-16)28(30)31/h2-14H,1H3,(H,25,29)
InChIKeyCSPOSGIFZKPDNM-UHFFFAOYSA-N
MW416.41 g/mol
LogP5.15
Rot. Bonds5

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

N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide (PubChem CID 3271382) has the molecular formula C23H17FN4O3 and a molecular weight of 416.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
PubChem CID3271382
Molecular FormulaC23H17FN4O3
Molecular Weight416.41 g/mol
Exact Mass416.13
IUPAC NameN-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C23H17FN4O3/c1-15-5-4-6-18(13-15)27-22(23(29)25-20-8-3-2-7-19(20)24)14-21(26-27)16-9-11-17(12-10-16)28(30)31/h2-14H,1H3,(H,25,29)
InChIKeyCSPOSGIFZKPDNM-UHFFFAOYSA-N
XLogP5.15
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.41
LogP ≤ 55.15
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

1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 1053304
N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 42758287
3-(3,4-dimethylphenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3541838
1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide
CID 3957723
N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4264270
N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758503
N-butyl-3-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3911082
N-[(2R)-3-methylbutan-2-yl]-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 7397683
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4222475
1-(3-chlorophenyl)-N-(2-methylpropyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 4687262

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide (CID 3271382) is N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide is Cc1cccc(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The InChIKey is CSPOSGIFZKPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3/c1-15-5-4-6-18(13-15)27-22(23(29)25-20-8-3-2-7-19(20)24)14-21(26-27)16-9-11-17(12-10-16)28(30)31/h2-14H,1H3,(H,25,29).
What are the key properties of N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3271382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).