1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide

C25H19FN4O3S — CID 24575110

IUPAC1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C25H19FN4O3S/c1-32-20-5-2-4-16(12-20)23-21(14-30(29-23)19-9-7-17(26)8-10-19)24(31)27-13-18-15-33-25(28-18)22-6-3-11-34-22/h2-12,14-15H,13H2,1H3,(H,27,31)
InChIKeyGGQDIJVPKOWGEC-UHFFFAOYSA-N
MW474.52 g/mol
LogP5.33
Rot. Bonds7

About 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 24575110) has the molecular formula C25H19FN4O3S and a molecular weight of 474.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID24575110
Molecular FormulaC25H19FN4O3S
Molecular Weight474.52 g/mol
Exact Mass474.12
IUPAC Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C25H19FN4O3S/c1-32-20-5-2-4-16(12-20)23-21(14-30(29-23)19-9-7-17(26)8-10-19)24(31)27-13-18-15-33-25(28-18)22-6-3-11-34-22/h2-12,14-15H,13H2,1H3,(H,27,31)
InChIKeyGGQDIJVPKOWGEC-UHFFFAOYSA-N
XLogP5.33
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide (CID 24575110) is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2coc(-c3cccs3)n2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is GGQDIJVPKOWGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3S/c1-32-20-5-2-4-16(12-20)23-21(14-30(29-23)19-9-7-17(26)8-10-19)24(31)27-13-18-15-33-25(28-18)22-6-3-11-34-22/h2-12,14-15H,13H2,1H3,(H,27,31).
What are the key properties of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24575110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).