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

C22H14F2N4O3 — CID 4222475

IUPAC3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2F)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H14F2N4O3/c23-14-8-10-15(11-9-14)25-22(29)21-13-20(18-6-1-2-7-19(18)24)26-27(21)16-4-3-5-17(12-16)28(30)31/h1-13H,(H,25,29)
InChIKeyCPRFJMNIVPBJHC-UHFFFAOYSA-N
MW420.38 g/mol
LogP4.98
Rot. Bonds5

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

3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide (PubChem CID 4222475) has the molecular formula C22H14F2N4O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
PubChem CID4222475
Molecular FormulaC22H14F2N4O3
Molecular Weight420.38 g/mol
Exact Mass420.10
IUPAC Name3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2F)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H14F2N4O3/c23-14-8-10-15(11-9-14)25-22(29)21-13-20(18-6-1-2-7-19(18)24)26-27(21)16-4-3-5-17(12-16)28(30)31/h1-13H,(H,25,29)
InChIKeyCPRFJMNIVPBJHC-UHFFFAOYSA-N
XLogP4.98
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 54.98
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

3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3977043
3-(2-fluorophenyl)-1-(3-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4310575
3-(3,4-dimethylphenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3541838
N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4264270
N-butyl-3-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3911082
3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide
CID 3517537
N-benzyl-3-(2-fluorophenyl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3938929
3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 3453937
N-butyl-3-(2-fluorophenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3372471
[3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3687460
3-(2-fluorophenyl)-N-(3-methylbutyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 42759122
N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3271382

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide (CID 4222475) is 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2F)nn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The InChIKey is CPRFJMNIVPBJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O3/c23-14-8-10-15(11-9-14)25-22(29)21-13-20(18-6-1-2-7-19(18)24)26-27(21)16-4-3-5-17(12-16)28(30)31/h1-13H,(H,25,29).
What are the key properties of 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide has a molecular weight of 420.38 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4222475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).