4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide

C24H20FN3O3 — CID 45269480

IUPAC4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)nn2-c2ccccc2F)cc1OC
InChIInChI=1S/C24H20FN3O3/c1-30-22-12-11-17(13-23(22)31-2)21-14-19(15-7-9-16(10-8-15)24(26)29)27-28(21)20-6-4-3-5-18(20)25/h3-14H,1-2H3,(H2,26,29)
InChIKeyUXQGZKFWGFDRHF-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.46
Rot. Bonds6

About 4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide

4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide (PubChem CID 45269480) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide
PubChem CID45269480
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)nn2-c2ccccc2F)cc1OC
InChIInChI=1S/C24H20FN3O3/c1-30-22-12-11-17(13-23(22)31-2)21-14-19(15-7-9-16(10-8-15)24(26)29)27-28(21)20-6-4-3-5-18(20)25/h3-14H,1-2H3,(H2,26,29)
InChIKeyUXQGZKFWGFDRHF-UHFFFAOYSA-N
XLogP4.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide (CID 45269480) is 4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide is COc1ccc(-c2cc(-c3ccc(C(N)=O)cc3)nn2-c2ccccc2F)cc1OC.
What is the InChIKey of 4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide?
The InChIKey is UXQGZKFWGFDRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-30-22-12-11-17(13-23(22)31-2)21-14-19(15-7-9-16(10-8-15)24(26)29)27-28(21)20-6-4-3-5-18(20)25/h3-14H,1-2H3,(H2,26,29).
What are the key properties of 4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide?
4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide has a molecular weight of 417.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 45269480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).