1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide

C20H20FN3O3 — CID 46105523

IUPAC1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(OC)cc2F)cc1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C20H20FN3O3/c1-4-24-19(20(25)22-13-6-5-7-14(10-13)26-2)12-18(23-24)16-9-8-15(27-3)11-17(16)21/h5-12H,4H2,1-3H3,(H,22,25)
InChIKeyKPXMAAUMJXXDJJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.98
Rot. Bonds6

About 1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide

1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 46105523) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID46105523
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(OC)cc2F)cc1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C20H20FN3O3/c1-4-24-19(20(25)22-13-6-5-7-14(10-13)26-2)12-18(23-24)16-9-8-15(27-3)11-17(16)21/h5-12H,4H2,1-3H3,(H,22,25)
InChIKeyKPXMAAUMJXXDJJ-UHFFFAOYSA-N
XLogP3.98
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide
CID 42879359
1-ethyl-N-(3-methoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 39886143
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide
CID 86981158
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230
2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 87026628
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
methyl (2S)-2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91639933
2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoic acid
CID 53371341
methyl 2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91821632
1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea
CID 42687429

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide (CID 46105523) is 1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide is CCn1nc(-c2ccc(OC)cc2F)cc1C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is KPXMAAUMJXXDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-4-24-19(20(25)22-13-6-5-7-14(10-13)26-2)12-18(23-24)16-9-8-15(27-3)11-17(16)21/h5-12H,4H2,1-3H3,(H,22,25).
What are the key properties of 1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide?
1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 46105523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).