5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide

C22H16F2N4O5 — CID 91634633

IUPAC5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccco2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C22H16F2N4O5/c1-13-20(21(29)25-12-17-3-2-10-32-17)26-27(15-6-4-14(23)5-7-15)22(13)33-19-9-8-16(28(30)31)11-18(19)24/h2-11H,12H2,1H3,(H,25,29)
InChIKeyPOUCFGUPVYSJFK-UHFFFAOYSA-N
MW454.39 g/mol
LogP4.68
Rot. Bonds7

About 5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide

5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide (PubChem CID 91634633) has the molecular formula C22H16F2N4O5 and a molecular weight of 454.39 g/mol. Its IUPAC name is 5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
PubChem CID91634633
Molecular FormulaC22H16F2N4O5
Molecular Weight454.39 g/mol
Exact Mass454.11
IUPAC Name5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccco2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C22H16F2N4O5/c1-13-20(21(29)25-12-17-3-2-10-32-17)26-27(15-6-4-14(23)5-7-15)22(13)33-19-9-8-16(28(30)31)11-18(19)24/h2-11H,12H2,1H3,(H,25,29)
InChIKeyPOUCFGUPVYSJFK-UHFFFAOYSA-N
XLogP4.68
TPSA112.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
CID 98441819
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-(2-nitrophenoxy)pyrazole-3-carboxamide
CID 42812033
N-(furan-2-ylmethyl)-5-[2-(2-methoxyethylsulfamoyl)-4-nitrophenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 83276735
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-4-methyl-5-[4-nitro-2-(propylsulfamoyl)phenoxy]pyrazole-3-carboxamide
CID 83276648
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
CID 98441942
[5-(2-fluoro-4-nitrophenoxy)-4-methyl-1-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 42812056
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(4-fluorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide
CID 98440601
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-tert-butyl-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
CID 98444290
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(4-fluorophenyl)-4-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 98441833
5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 27649949
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(4-fluorophenyl)-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 98440641

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide (CID 91634633) is 5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)NCc2ccco2)nn(-c2ccc(F)cc2)c1Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is POUCFGUPVYSJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O5/c1-13-20(21(29)25-12-17-3-2-10-32-17)26-27(15-6-4-14(23)5-7-15)22(13)33-19-9-8-16(28(30)31)11-18(19)24/h2-11H,12H2,1H3,(H,25,29).
What are the key properties of 5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide?
5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 454.39 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91634633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).