1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide

C20H19FN4O4 — CID 83282560

IUPAC1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2cccc(C)c2)c(C)c1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C20H19FN4O4/c1-4-24-20(29-17-9-8-15(25(27)28)11-16(17)21)13(3)18(23-24)19(26)22-14-7-5-6-12(2)10-14/h5-11H,4H2,1-3H3,(H,22,26)
InChIKeyFRMFWCNBOZKESK-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.61
Rot. Bonds6

About 1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide

1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide (PubChem CID 83282560) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is 1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide
PubChem CID83282560
Molecular FormulaC20H19FN4O4
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2cccc(C)c2)c(C)c1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C20H19FN4O4/c1-4-24-20(29-17-9-8-15(25(27)28)11-16(17)21)13(3)18(23-24)19(26)22-14-7-5-6-12(2)10-14/h5-11H,4H2,1-3H3,(H,22,26)
InChIKeyFRMFWCNBOZKESK-UHFFFAOYSA-N
XLogP4.61
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.61
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

N-[(2S)-butan-2-yl]-5-(2-fluoro-4-nitrophenoxy)-1,4-dimethylpyrazole-3-carboxamide
CID 97473415
4-methyl-N-(3-methylphenyl)-5-(2-morpholin-4-ylsulfonyl-4-nitrophenoxy)-1-phenylpyrazole-3-carboxamide
CID 83277178
N-butan-2-yl-5-[2-(butan-2-ylsulfamoyl)-4-nitrophenoxy]-1-ethyl-4-methylpyrazole-3-carboxamide
CID 91633454
5-(2-fluoro-4-nitrophenoxy)-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
CID 91634633
N-[3-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905059
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-methoxy-5-nitrobenzamide
CID 32574914
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896
4-bromo-1-ethyl-N-(3-nitrophenyl)pyrazole-5-carboxamide
CID 35522789
5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide
CID 83276513
[5-(2-fluoro-4-nitrophenoxy)-4-methyl-1-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 42812056
2-(azepan-1-yl)-N-(3-methylphenyl)-5-nitrobenzamide
CID 2948692
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide (CID 83282560) is 1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide is CCn1nc(C(=O)Nc2cccc(C)c2)c(C)c1Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is FRMFWCNBOZKESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4/c1-4-24-20(29-17-9-8-15(25(27)28)11-16(17)21)13(3)18(23-24)19(26)22-14-7-5-6-12(2)10-14/h5-11H,4H2,1-3H3,(H,22,26).
What are the key properties of 1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 83282560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).