1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H15ClF3N3O2 — CID 46827915

IUPAC1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1
InChIInChI=1S/C19H15ClF3N3O2/c1-2-28-15-9-5-13(6-10-15)25-18(27)16-11-24-26(17(16)19(21,22)23)14-7-3-12(20)4-8-14/h3-11H,2H2,1H3,(H,25,27)
InChIKeyLDVNWKCJVGPUJF-UHFFFAOYSA-N
MW409.80 g/mol
LogP5.20
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 46827915) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID46827915
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC Name1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1
InChIInChI=1S/C19H15ClF3N3O2/c1-2-28-15-9-5-13(6-10-15)25-18(27)16-11-24-26(17(16)19(21,22)23)14-7-3-12(20)4-8-14/h3-11H,2H2,1H3,(H,25,27)
InChIKeyLDVNWKCJVGPUJF-UHFFFAOYSA-N
XLogP5.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.80
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 46827915) is 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LDVNWKCJVGPUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-2-28-15-9-5-13(6-10-15)25-18(27)16-11-24-26(17(16)19(21,22)23)14-7-3-12(20)4-8-14/h3-11H,2H2,1H3,(H,25,27).
What are the key properties of 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 409.80 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46827915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).