N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide

C22H14F2N4O3 — CID 150344989

IUPACN-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1F)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H14F2N4O3/c23-18-7-4-8-19(20(18)24)25-22(29)17-13-27(15-5-2-1-3-6-15)26-21(17)14-9-11-16(12-10-14)28(30)31/h1-13H,(H,25,29)
InChIKeyGSMQKHYWNFNGRV-UHFFFAOYSA-N
MW420.38 g/mol
LogP4.98
Rot. Bonds5

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

N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 150344989) has the molecular formula C22H14F2N4O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID150344989
Molecular FormulaC22H14F2N4O3
Molecular Weight420.38 g/mol
Exact Mass420.10
IUPAC NameN-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(F)c1F)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H14F2N4O3/c23-18-7-4-8-19(20(18)24)25-22(29)17-13-27(15-5-2-1-3-6-15)26-21(17)14-9-11-16(12-10-14)28(30)31/h1-13H,(H,25,29)
InChIKeyGSMQKHYWNFNGRV-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-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 4114034
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
N-(3-chlorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 151307520
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584
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-nitrophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1289699
N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 166791968
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 166792153
N-(3-carbamoyl-4-fluorophenyl)-3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 167974587
1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide
CID 166792000
1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19281225

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide (CID 150344989) is N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1cccc(F)c1F)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is GSMQKHYWNFNGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O3/c23-18-7-4-8-19(20(18)24)25-22(29)17-13-27(15-5-2-1-3-6-15)26-21(17)14-9-11-16(12-10-14)28(30)31/h1-13H,(H,25,29).
What are the key properties of N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide?
N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-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 N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 150344989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).