3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide

C24H20FN3O3 — CID 2333869

IUPAC3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2)cc1OC
InChIInChI=1S/C24H20FN3O3/c1-30-21-13-8-16(14-22(21)31-2)23-20(15-28(27-23)19-6-4-3-5-7-19)24(29)26-18-11-9-17(25)10-12-18/h3-15H,1-2H3,(H,26,29)
InChIKeyCKLBSWXXYLOXKJ-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.95
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide

3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 2333869) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID2333869
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2)cc1OC
InChIInChI=1S/C24H20FN3O3/c1-30-21-13-8-16(14-22(21)31-2)23-20(15-28(27-23)19-6-4-3-5-7-19)24(29)26-18-11-9-17(25)10-12-18/h3-15H,1-2H3,(H,26,29)
InChIKeyCKLBSWXXYLOXKJ-UHFFFAOYSA-N
XLogP4.95
TPSA65.38 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 ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide (CID 2333869) is 3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is CKLBSWXXYLOXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-30-21-13-8-16(14-22(21)31-2)23-20(15-28(27-23)19-6-4-3-5-7-19)24(29)26-18-11-9-17(25)10-12-18/h3-15H,1-2H3,(H,26,29).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2333869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).